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

Systemtic Name: 2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-[[5-chloranyl-2-(3-methoxypropyl)-1-oxidanidyl-pyridin-1-ium-4-yl]methyl]-N-cyclopropyl-propanamide Openeye Name: 2-(aminomethyl)-N-[[5-chloro-2-(3-methoxypropyl)-1-oxido-pyridin-1-ium-4-yl]methyl]-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]propanamide CAS Name: 2-(aminomethyl)-N-[[5-chloro-2-(3-methoxypropyl)-1-oxido-4-pyridin-1-iumyl]methyl]-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propanamide IUPAC Name: 2-(aminomethyl)-N-[[5-chloro-2-(3-methoxypropyl)-1-oxidopyridin-1-ium-4-yl]methyl]-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propanamide Traditional Name: 2-(aminomethyl)-N-[[5-chloro-2-(3-methoxypropyl)-1-oxido-pyridin-1-ium-4-yl]methyl]-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]propionamide Formula: C32H38Cl3N3O5 MolecularWeight: 651.02022

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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(=[N+](C=C3Cl)[O-])CCCOC)C4CC4)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N(CC3=CC(=[N+](C=C3Cl)[O-])CCCOC)C4CC4)Cl

InChI

InChI=1S/C32H38Cl3N3O5/c1-21-14-28(33)31(29(34)15-21)43-13-12-42-27-9-5-22(6-10-27)16-23(18-36)32(39)37(25-7-8-25)19-24-17-26(4-3-11-41-2)38(40)20-30(24)35/h5-6,9-10,14-15,17,20,23,25H,3-4,7-8,11-13,16,18-19,36H2,1-2H3