ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H33N2O3S+ MolecularWeight: 429.59542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CC[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CC[NH+]3CCC(CC3)C

InChI

InChI=1S/C24H32N2O3S/c1-5-29-24(28)22-20(19-7-6-17(3)18(4)14-19)15-30-23(22)25-21(27)10-13-26-11-8-16(2)9-12-26/h6-7,14-16H,5,8-13H2,1-4H3,(H,25,27)/p+1