ethanedioic acid; [1-(3-phenothiazin-10-ylpropyl)piperidin-3-yl] ethanoate

Systemtic Name: ethanedioic acid; [1-(3-phenothiazin-10-ylpropyl)piperidin-3-yl] ethanoate Openeye Name: oxalic acid; [1-(3-phenothiazin-10-ylpropyl)-3-piperidyl] acetate CAS Name: acetic acid [1-[3-(10-phenothiazinyl)propyl]-3-piperidinyl] ester; oxalic acid IUPAC Name: oxalic acid; [1-(3-phenothiazin-10-ylpropyl)piperidin-3-yl] acetate Traditional Name: acetic acid [1-(3-phenothiazin-10-ylpropyl)-3-piperidyl] ester; oxalic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCN(C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)OC1CCCN(C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O2S.C2H2O4/c1-17(25)26-18-8-6-13-23(16-18)14-7-15-24-19-9-2-4-11-21(19)27-22-12-5-3-10-20(22)24;3-1(4)2(5)6/h2-5,9-12,18H,6-8,13-16H2,1H3;(H,3,4)(H,5,6)