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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-[5-(1-piperidylsulfonyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(5-piperidinosulfonyl-2-pyridyl)piperazin-1-ium Formula: C21H28ClN4O2S+ MolecularWeight: 435.99062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H27ClN4O2S/c22-19-6-4-18(5-7-19)17-24-12-14-25(15-13-24)21-9-8-20(16-23-21)29(27,28)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17H2/p+1