2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]phenyl]methyl]propanamide

Systemtic Name: 2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]phenyl]methyl]propanamide Openeye Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-[(1-oxidopyridin-1-ium-2-yl)methoxy]phenyl]methyl]propanamide CAS Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-[(1-oxido-2-pyridin-1-iumyl)methoxy]phenyl]methyl]propanamide IUPAC Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-[(1-oxidopyridin-1-ium-2-yl)methoxy]phenyl]methyl]propanamide Traditional Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[3-(3-methoxypropyl)-5-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzyl]propionamide Formula: C39H45Cl2N3O6 MolecularWeight: 722.6971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCC4=CC=CC=[N+]4[O-])C5CC5)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCC4=CC=CC=[N+]4[O-])C5CC5)Cl

InChI

InChI=1S/C39H45Cl2N3O6/c1-27-18-36(40)38(37(41)19-27)49-17-16-48-34-12-8-28(9-13-34)21-31(24-42)39(45)43(32-10-11-32)25-30-20-29(6-5-15-47-2)22-35(23-30)50-26-33-7-3-4-14-44(33)46/h3-4,7-9,12-14,18-20,22-23,31-32H,5-6,10-11,15-17,21,24-26,42H2,1-2H3