1-[(4-dimethylaminophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-methylthiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(4-methyl-2-thiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(4-methylthiazol-2-yl)methyl]isonipecotic acid Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H25N3O2S/c1-13-12-25-18(20-13)17(14-4-6-16(7-5-14)21(2)3)22-10-8-15(9-11-22)19(23)24/h4-7,12,15,17H,8-11H2,1-3H3,(H,23,24)