4-[(E)-2-(1,3-dimethylquinoxalin-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline; methyl sulfate

Systemtic Name: 4-[(E)-2-(1,3-dimethylquinoxalin-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline; methyl sulfate Openeye Name: 4-[(E)-2-(1,3-dimethylquinoxalin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline; methyl sulfate CAS Name: 4-[(E)-2-(1,3-dimethyl-2-quinoxalin-1-iumyl)ethenyl]-N,N-dimethylaniline; methyl sulfate IUPAC Name: 4-[(E)-2-(1,3-dimethylquinoxalin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline; methyl sulfate Traditional Name: [4-[(E)-2-(1,3-dimethylquinoxalin-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine; methyl sulfate Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H22N3.CH4O4S/c1-15-19(23(4)20-8-6-5-7-18(20)21-15)14-11-16-9-12-17(13-10-16)22(2)3;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1