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

Systemtic Name: ethyl 2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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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=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-4-34-27(32)25-24(20-9-6-5-7-10-20)19(2)35-26(25)28-23(31)18-29-13-15-30(16-14-29)21-11-8-12-22(17-21)33-3/h5-12,17H,4,13-16,18H2,1-3H3,(H,28,31)/p+1