1-(diphenylmethyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-benzhydryl-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-benzhydryl-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C26H32N4O2S+2 MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2S/c31-33(32,30-15-7-8-16-30)24-13-14-25(27-21-24)28-17-19-29(20-18-28)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-14,21,26H,7-8,15-20H2/p+2