methyl sulfate; trimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]azanium Openeye Name: methyl sulfate; trimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl]ammonium CAS Name: methyl sulfate; trimethyl-[4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]phenyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]azanium Traditional Name: methyl sulfate; trimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl]ammonium Formula: C23H30N2O8S2 MolecularWeight: 526.6229

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C21H24N2.2CH4O4S/c1-22-19(14-12-18-7-5-6-8-21(18)22)13-9-17-10-15-20(16-11-17)23(2,3)4;2*1-5-6(2,3)4/h5-16H,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2/b13-9+;;