N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(2-methoxyphenyl)-4-p-anisyl-1,4-diazepan-4-ium-1-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O3/c1-26-18-10-8-17(9-11-18)16-23-12-5-13-24(15-14-23)21(25)22-19-6-3-4-7-20(19)27-2/h3-4,6-11H,5,12-16H2,1-2H3,(H,22,25)/p+1