(2S)-N-(3-cyanophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propionamide Formula: C16H24N4O+2 MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC[NH+](CC2)C

InChI

InChI=1S/C16H22N4O/c1-13(20-8-4-7-19(2)9-10-20)16(21)18-15-6-3-5-14(11-15)12-17/h3,5-6,11,13H,4,7-10H2,1-2H3,(H,18,21)/p+2/t13-/m0/s1