4-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(p-tolyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-p-anisyl-N-(p-tolyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2/c1-17-4-8-19(9-5-17)22-21(25)24-13-3-12-23(14-15-24)16-18-6-10-20(26-2)11-7-18/h4-11H,3,12-16H2,1-2H3,(H,22,25)/p+1