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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-4-30-23(29)20-19(16-8-6-5-7-9-16)15(2)31-22(20)25-18(27)14-26-12-10-17(11-13-26)21(28)24-3/h5-9,17H,4,10-14H2,1-3H3,(H,24,28)(H,25,27)/p+1