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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: 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-pyrrolecarboxylate IUPAC Name: 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-carboxylate Formula: C23H25N3O4S MolecularWeight: 439.5273

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-24-20(23(27)28)12-13-21(24)31(29,30)26-16-14-25(15-17-26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,22H,14-17H2,1H3,(H,27,28)