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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

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