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

Systemtic Name: ethyl 2-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(4-methyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-4-27-21(26)18-17(16-8-6-5-7-9-16)14-28-20(18)22-19(25)15(2)24-12-10-23(3)11-13-24/h5-9,14-15H,4,10-13H2,1-3H3,(H,22,25)/p+1/t15-/m0/s1