ethyl 3-methyl-5-[2-[4-[(phenylmethyl)carbamoyl]piperidin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-[4-[(phenylmethyl)carbamoyl]piperidin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-(benzylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidin-1-iumyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(benzylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-(benzylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O4S/c1-3-30-23(29)21-16(2)13-20(31-21)25-19(27)15-26-11-9-18(10-12-26)22(28)24-14-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,14-15H2,1-2H3,(H,24,28)(H,25,27)/p+1