1-[isoquinolin-6-yl-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-14-9-19(26-13-14)20(23-8-2-3-18(12-23)21(24)25)16-4-5-17-11-22-7-6-15(17)10-16/h4-7,9-11,13,18,20H,2-3,8,12H2,1H3,(H,24,25)