methyl 3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c1-30-23(28)22-20(12-17-31-22)25-24(29)27-15-13-26(14-16-27)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,17,21H,13-16H2,1H3,(H,25,29)/p+1