4-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-quinolin-1-ium-4-yl]morpholine

Systemtic Name: 4-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-quinolin-1-ium-4-yl]morpholine Openeye Name: 4-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-quinolin-1-ium-4-yl]morpholine CAS Name: 4-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-quinolin-1-iumyl]morpholine IUPAC Name: 4-[3-(3,4-dimethylphenyl)sulfonyl-6-ethylquinolin-1-ium-4-yl]morpholine Traditional Name: 4-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-quinolin-1-ium-4-yl]morpholine Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCOCC4

InChI

InChI=1S/C23H26N2O3S/c1-4-18-6-8-21-20(14-18)23(25-9-11-28-12-10-25)22(15-24-21)29(26,27)19-7-5-16(2)17(3)13-19/h5-8,13-15H,4,9-12H2,1-3H3/p+1