methyl sulfate; 1-[(E)-2-phenylethenyl]quinolin-1-ium

Systemtic Name: methyl sulfate; 1-[(E)-2-phenylethenyl]quinolin-1-ium Openeye Name: methyl sulfate; 1-[(E)-styryl]quinolin-1-ium CAS Name: methyl sulfate; 1-[(E)-2-phenylethenyl]quinolin-1-ium IUPAC Name: methyl sulfate; 1-[(E)-2-phenylethenyl]quinolin-1-ium Traditional Name: methyl sulfate; 1-[(E)-styryl]quinolin-1-ium Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)C=C[N+]2=CC=CC3=CC=CC=C32

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/[N+]2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H14N.CH4O4S/c1-2-7-15(8-3-1)12-14-18-13-6-10-16-9-4-5-11-17(16)18;1-5-6(2,3)4/h1-14H;1H3,(H,2,3,4)/q+1;/p-1/b14-12+;