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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H32N3O5S+ MolecularWeight: 510.62508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O5S/c1-4-35-27(32)25-23(19-8-10-21(33-2)11-9-19)18-36-26(25)28-24(31)17-29-12-14-30(15-13-29)20-6-5-7-22(16-20)34-3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,28,31)/p+1