(3R)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-phenyl-piperazin-4-ium-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-phenyl-piperazin-4-ium-1,3-dicarboxamide Openeye Name: (3R)-N3-[(3S)-2-oxo-3-piperidyl]-N1-phenyl-piperazin-4-ium-1,3-dicarboxamide CAS Name: (3R)-N3-[(3S)-2-oxo-3-piperidinyl]-N1-phenylpiperazin-4-ium-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-phenylpiperazin-4-ium-1,3-dicarboxamide Traditional Name: (3R)-N'-[(3S)-2-keto-3-piperidyl]-N-phenyl-piperazin-4-ium-1,3-dicarboxamide Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CC[NH2+]2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@H]2CN(CC[NH2+]2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H23N5O3/c23-15-13(7-4-8-19-15)21-16(24)14-11-22(10-9-18-14)17(25)20-12-5-2-1-3-6-12/h1-3,5-6,13-14,18H,4,7-11H2,(H,19,23)(H,20,25)(H,21,24)/p+1/t13-,14+/m0/s1