(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(cyclopropylamino)-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4O2/c1-13(16(22)19-17(23)18-14-7-8-14)20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,18,19,22,23)/p+1/t13-/m0/s1