N,N-diethyl-6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine

Systemtic Name: N,N-diethyl-6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine Openeye Name: N,N-diethyl-6-methoxy-3-(p-tolylsulfonyl)quinolin-1-ium-4-amine CAS Name: N,N-diethyl-6-methoxy-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumamine IUPAC Name: N,N-diethyl-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-amine Traditional Name: diethyl-(6-methoxy-3-tosyl-quinolin-1-ium-4-yl)amine Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C=C(C=CC2=[NH+]C=C1S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCN(CC)C1=C2C=C(C=CC2=[NH+]C=C1S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C21H24N2O3S/c1-5-23(6-2)21-18-13-16(26-4)9-12-19(18)22-14-20(21)27(24,25)17-10-7-15(3)8-11-17/h7-14H,5-6H2,1-4H3/p+1