1-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C20H27ClN4O2S+2 MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H25ClN4O2S/c21-18-5-3-17(4-6-18)16-23-11-13-24(14-12-23)20-8-7-19(15-22-20)28(26,27)25-9-1-2-10-25/h3-8,15H,1-2,9-14,16H2/p+2