1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20ClN3O2S/c1-13-12-16(14(2)11-15(13)18)24(22,23)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10H2,1-2H3/p+1