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

Systemtic Name: ethyl 5-chloranyl-2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H29ClN3O4S+ MolecularWeight: 515.04416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O4S/c1-3-34-26(32)23-22(18-8-5-4-6-9-18)24(27)35-25(23)28-21(31)17-29-12-14-30(15-13-29)19-10-7-11-20(16-19)33-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,28,31)/p+1