(2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: (2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(benzylcarbamoyl)propanamide CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(benzylcarbamoyl)propanamide Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(benzylcarbamoyl)propionamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C17H24N4O3/c1-13(20-8-10-21(11-9-20)14(2)22)16(23)19-17(24)18-12-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3,(H2,18,19,23,24)/p+1/t13-/m1/s1