N-[3-acetamido-5-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]ethanamide

Systemtic Name: N-[3-acetamido-5-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]ethanamide Openeye Name: N-[3-acetamido-5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]acetamide CAS Name: N-[3-acetamido-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]acetamide Traditional Name: N-[3-acetamido-5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C23H28N4O3/c1-17(28)24-21-13-20(14-22(15-21)25-18(2)29)23(30)27-10-6-9-26(11-12-27)16-19-7-4-3-5-8-19/h3-5,7-8,13-15H,6,9-12,16H2,1-2H3,(H,24,28)(H,25,29)/p+1