[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-butoxypropyl)azanium

Systemtic Name: [3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [3-bromo-4-(2-chlorobenzyl)oxy-5-methoxy-benzyl]-(3-butoxypropyl)ammonium Formula: C22H30BrClNO3+ MolecularWeight: 471.8355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OC

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OC

InChI

InChI=1S/C22H29BrClNO3/c1-3-4-11-27-12-7-10-25-15-17-13-19(23)22(21(14-17)26-2)28-16-18-8-5-6-9-20(18)24/h5-6,8-9,13-14,25H,3-4,7,10-12,15-16H2,1-2H3/p+1