1-(3,4-dimethylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C

InChI

InChI=1S/C18H23N3O2S/c1-15-6-7-18(13-16(15)2)24(22,23)21-11-9-20(10-12-21)14-17-5-3-4-8-19-17/h3-8,13H,9-12,14H2,1-2H3/p+1