1-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]isonipecotic acid Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCC(CC4)C(=O)O)C

InChI

InChI=1S/C23H28N2O3S/c1-16-8-9-21-22(17(16)2)25(19-6-3-4-7-20(19)29(21)28)13-5-12-24-14-10-18(11-15-24)23(26)27/h3-4,6-9,18H,5,10-15H2,1-2H3,(H,26,27)