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

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(1-naphthyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-(1-naphthalenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(1-naphthyl)-4-p-anisyl-1,4-diazepan-4-ium-1-carboxamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H27N3O2/c1-29-21-12-10-19(11-13-21)18-26-14-5-15-27(17-16-26)24(28)25-23-9-4-7-20-6-2-3-8-22(20)23/h2-4,6-13H,5,14-18H2,1H3,(H,25,28)/p+1