ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-4-32-23(29)20-16(15-5-6-17(30-2)18(11-15)31-3)13-33-22(20)25-19(27)12-26-9-7-14(8-10-26)21(24)28/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H2,24,28)(H,25,27)/p+1