ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-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)NC(=O)C(C)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-4-34-27(32)24-23(20-8-6-5-7-9-20)18-35-26(24)28-25(31)19(2)29-14-16-30(17-15-29)21-10-12-22(33-3)13-11-21/h5-13,18-19H,4,14-17H2,1-3H3,(H,28,31)/p+1/t19-/m0/s1