4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-quinolin-1-ium

Systemtic Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-quinolin-1-ium Openeye Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-quinolin-1-ium CAS Name: 4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-methylquinolin-1-ium IUPAC Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylquinolin-1-ium Traditional Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-methyl-quinolin-1-ium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C)C

InChI

InChI=1S/C22H25N3O2S/c1-16-8-9-19(14-17(16)2)28(26,27)25-12-10-24(11-13-25)22-15-18(3)23-21-7-5-4-6-20(21)22/h4-9,14-15H,10-13H2,1-3H3/p+1