1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(5-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-14-2-5-19(26-14)20(23-10-7-15(8-11-23)21(24)25)17-3-4-18-13-22-9-6-16(18)12-17/h2-6,9,12-13,15,20H,7-8,10-11H2,1H3,(H,24,25)