3-(4-ethylphenyl)sulfonyl-4-piperidin-1-yl-quinolin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCCCC4

InChI

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