ethyl 2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H31N2O3S+ MolecularWeight: 463.61164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C[NH+]4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C[NH+]4CCC(CC4)C

InChI

InChI=1S/C27H30N2O3S/c1-3-32-27(31)25-23(22-11-9-21(10-12-22)20-7-5-4-6-8-20)18-33-26(25)28-24(30)17-29-15-13-19(2)14-16-29/h4-12,18-19H,3,13-17H2,1-2H3,(H,28,30)/p+1