methyl 5-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C[NH+]2CCN(CC2)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C[NH+]2CCN(CC2)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-14-17(15-7-5-4-6-8-15)18(20(25)26-3)19(27-14)21-16(24)13-23-11-9-22(2)10-12-23/h4-8H,9-13H2,1-3H3,(H,21,24)/p+1