1-(3-methylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium

Systemtic Name: 1-(3-methylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Openeye Name: 1-(m-tolylsulfonyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(3-methylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium IUPAC Name: 1-(3-methylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Traditional Name: 1-(m-tolylsulfonyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C18H23N3O2S/c1-16-3-2-4-18(15-16)24(22,23)21-13-11-20(12-14-21)10-7-17-5-8-19-9-6-17/h2-6,8-9,15H,7,10-14H2,1H3/p+1