1-[2-[2-(2-chloranylphenothiazin-10-yl)ethoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2-(2-chloranylphenothiazin-10-yl)ethoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2-(2-chlorophenothiazin-10-yl)ethoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-(2-chloro-10-phenothiazinyl)ethoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-(2-chlorophenothiazin-10-yl)ethoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2-(2-chlorophenothiazin-10-yl)ethoxy]ethyl]nipecotic acid Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCOCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCOCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H25ClN2O3S/c23-17-7-8-21-19(14-17)25(18-5-1-2-6-20(18)29-21)11-13-28-12-10-24-9-3-4-16(15-24)22(26)27/h1-2,5-8,14,16H,3-4,9-13,15H2,(H,26,27)