methyl 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H25N3O3S+2 MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-21-8-10-22(11-9-21)12-16(23)20-18-17(19(24)25-2)15(13-26-18)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,20,23)/p+2