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

Systemtic Name: 1-[[4-[(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)methyl]phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-[(1,2-dimethyl-5-oxo-phenothiazin-10-yl)methyl]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[(1,2-dimethyl-5-oxo-10-phenothiazinyl)methyl]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-[(1,2-dimethyl-5-oxophenothiazin-10-yl)methyl]phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(5-keto-1,2-dimethyl-phenothiazin-10-yl)methyl]benzyl]isonipecotic acid Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CC4=CC=C(C=C4)CN5CCC(CC5)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CC4=CC=C(C=C4)CN5CCC(CC5)C(=O)O)C

InChI

InChI=1S/C28H30N2O3S/c1-19-7-12-26-27(20(19)2)30(24-5-3-4-6-25(24)34(26)33)18-22-10-8-21(9-11-22)17-29-15-13-23(14-16-29)28(31)32/h3-12,23H,13-18H2,1-2H3,(H,31,32)