methyl 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-25-21(24(28)31-2)13-14-22(25)32(29,30)27-17-15-26(16-18-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,23H,15-18H2,1-2H3/p+1