N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]acetamide Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4O2/c1-17(28)24-20-7-9-21(10-8-20)25-22(29)16-27-12-2-11-26(13-14-27)15-18-3-5-19(23)6-4-18/h3-10H,2,11-16H2,1H3,(H,24,28)(H,25,29)/p+1