(2S)-N-(3-acetamidophenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-acetamidophenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-acetamidophenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(3-acetamidophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-acetamidophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-acetamidophenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)NC(=O)C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22N4O2/c1-11(19-8-6-16-7-9-19)15(21)18-14-5-3-4-13(10-14)17-12(2)20/h3-5,10-11,16H,6-9H2,1-2H3,(H,17,20)(H,18,21)/p+1/t11-/m0/s1