[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-pyrrolidinosulfonylphenyl)methanone Formula: C28H32N3O3S+ MolecularWeight: 490.63698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3S/c32-28(25-13-15-26(16-14-25)35(33,34)31-17-7-8-18-31)30-21-19-29(20-22-30)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27H,7-8,17-22H2/p+1