methyl sulfate; trimethyl-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]azanium Openeye Name: methyl sulfate; trimethyl-[4-[(E)-2-(2-quinolyl)vinyl]phenyl]ammonium CAS Name: methyl sulfate; trimethyl-[4-[(E)-2-(2-quinolinyl)ethenyl]phenyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]azanium Traditional Name: methyl sulfate; trimethyl-[4-[(E)-2-(2-quinolyl)vinyl]phenyl]ammonium Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H21N2.CH4O4S/c1-22(2,3)19-14-9-16(10-15-19)8-12-18-13-11-17-6-4-5-7-20(17)21-18;1-5-6(2,3)4/h4-15H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b12-8+;