3-[(4-methylcyclohexyl)carbonyl-(piperidin-1-ium-4-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(piperidin-1-ium-4-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(piperidin-1-ium-4-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(4-piperidin-1-iumylmethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(piperidin-1-ium-4-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(piperidin-1-ium-4-ylmethyl)amino]-5-phenyl-2-thenoic acid Formula: C25H33N2O3S+ MolecularWeight: 441.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(CC2CC[NH2+]CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(CC2CC[NH2+]CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H32N2O3S/c1-17-7-9-20(10-8-17)24(28)27(16-18-11-13-26-14-12-18)21-15-22(31-23(21)25(29)30)19-5-3-2-4-6-19/h2-6,15,17-18,20,26H,7-14,16H2,1H3,(H,29,30)/p+1