ethyl 2-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-[anilino(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-2-28-21(27)17-10-13-29-20(17)23-18(25)14-24-11-8-15(9-12-24)19(26)22-16-6-4-3-5-7-16/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3,(H,22,26)(H,23,25)/p+1