ethyl 3-[2-(4-methoxypiperidin-1-ium-1-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-methoxypiperidin-1-ium-1-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-methoxypiperidin-1-ium-1-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(4-methoxy-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methoxypiperidin-1-ium-1-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(4-methoxypiperidin-1-ium-1-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)OC

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)OC

InChI

InChI=1S/C21H26N2O4S/c1-3-27-21(25)20-17(13-18(28-20)15-7-5-4-6-8-15)22-19(24)14-23-11-9-16(26-2)10-12-23/h4-8,13,16H,3,9-12,14H2,1-2H3,(H,22,24)/p+1