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

Systemtic Name: ethyl 2-[[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30N3O4S+ MolecularWeight: 480.5991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C26H29N3O4S/c1-3-33-26(32)23-20(19-9-5-4-6-10-19)17-34-25(23)27-24(31)18(2)28-13-15-29(16-14-28)21-11-7-8-12-22(21)30/h4-12,17-18,30H,3,13-16H2,1-2H3,(H,27,31)/p+1/t18-/m0/s1