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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c1-16-3-4-19(15-17(16)2)25(23,24)22-13-11-21(12-14-22)10-7-18-5-8-20-9-6-18/h3-6,8-9,15H,7,10-14H2,1-2H3/p+1