2-[2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)ethanoylamino]-N-[(1S)-1-phenylethyl]benzamide

Systemtic Name: 2-[2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)ethanoylamino]-N-[(1S)-1-phenylethyl]benzamide Openeye Name: 2-[[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide CAS Name: 2-[[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-1-oxoethyl]amino]-N-[(1S)-1-phenylethyl]benzamide IUPAC Name: 2-[[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide Traditional Name: 2-[[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCN(CC3)C(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCN(CC3)C(=O)C

InChI

InChI=1S/C24H30N4O3/c1-18(20-9-4-3-5-10-20)25-24(31)21-11-6-7-12-22(21)26-23(30)17-27-13-8-14-28(16-15-27)19(2)29/h3-7,9-12,18H,8,13-17H2,1-2H3,(H,25,31)(H,26,30)/p+1/t18-/m0/s1