(2S)-2-[4-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2S)-2-[4-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2S)-2-[4-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2S)-2-[4-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2S)-2-[4-[(1S)-2-amino-2-oxo-1-phenylethyl]piperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2S)-2-[4-[(1S)-2-amino-2-keto-1-phenyl-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2/c1-13(18(24)20-15-7-8-15)21-9-11-22(12-10-21)16(17(19)23)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H2,19,23)(H,20,24)/p+1/t13-,16-/m0/s1