N-(3-chlorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-p-anisyl-1,4-diazepan-4-ium-1-carboxamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O2/c1-26-19-8-6-16(7-9-19)15-23-10-3-11-24(13-12-23)20(25)22-18-5-2-4-17(21)14-18/h2,4-9,14H,3,10-13,15H2,1H3,(H,22,25)/p+1