3-(3,4-dimethylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(1-piperidyl)quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(1-piperidinyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-piperidin-1-ylquinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-piperidino-quinolin-1-ium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCCCC4)C

InChI

InChI=1S/C22H24N2O2S/c1-16-10-11-18(14-17(16)2)27(25,26)21-15-23-20-9-5-4-8-19(20)22(21)24-12-6-3-7-13-24/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3/p+1