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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-phenylpiperazino)ethyl]piperidin-1-ium-3-carboxylate Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c22-17(14-19-8-4-5-15(13-19)18(23)24)21-11-9-20(10-12-21)16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2,(H,23,24)/t15-/m0/s1