1-[3-(2-chloranylphenothiazin-10-yl)propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(2-chloranylphenothiazin-10-yl)propyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(2-chloro-10-phenothiazinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]isonipecotic acid Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c22-16-6-7-20-18(14-16)24(17-4-1-2-5-19(17)27-20)11-3-10-23-12-8-15(9-13-23)21(25)26/h1-2,4-7,14-15H,3,8-13H2,(H,25,26)