7-chloranyl-4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonylpiperazino]quinolin-1-ium Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)C

InChI

InChI=1S/C21H22ClN3O2S/c1-15-3-5-18(13-16(15)2)28(26,27)25-11-9-24(10-12-25)21-7-8-23-20-14-17(22)4-6-19(20)21/h3-8,13-14H,9-12H2,1-2H3/p+1