(3S)-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-(4-phenylpiperazino)ethyl]piperidin-1-ium-3-carboxamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H26N4O2/c19-18(24)15-5-4-8-20(13-15)14-17(23)22-11-9-21(10-12-22)16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2,(H2,19,24)/p+1/t15-/m0/s1