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

Systemtic Name: ethyl 2-[2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28N5O3S+ MolecularWeight: 490.59722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C26H27N5O3S/c1-3-34-26(33)24-23(20-7-5-4-6-8-20)18(2)35-25(24)29-22(32)17-30-11-13-31(14-12-30)21-15-19(16-27)9-10-28-21/h4-10,15H,3,11-14,17H2,1-2H3,(H,29,32)/p+1