(2R)-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-keto-2-(4-phenylpiperazino)ethyl]piperidin-1-ium-2-carboxamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)N)CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)N)CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4O2/c19-18(24)16-8-4-5-9-22(16)14-17(23)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,24)/p+1/t16-/m1/s1