1-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-indole-5-carboxylic acid

Systemtic Name: 1-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-indole-5-carboxylic acid Openeye Name: 1-methyl-3-[(1-methyl-4-piperidyl)sulfanyl]indole-5-carboxylic acid CAS Name: 1-methyl-3-[(1-methyl-4-piperidinyl)thio]-5-indolecarboxylic acid IUPAC Name: 1-methyl-3-(1-methylpiperidin-4-yl)sulfanylindole-5-carboxylic acid Traditional Name: 1-methyl-3-[(1-methyl-4-piperidyl)thio]indole-5-carboxylic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)SC2=CN(C3=C2C=C(C=C3)C(=O)O)C

Isomeric SMILES

CN1CCC(CC1)SC2=CN(C3=C2C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C16H20N2O2S/c1-17-7-5-12(6-8-17)21-15-10-18(2)14-4-3-11(16(19)20)9-13(14)15/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)