methyl sulfate; (E)-2-phenyl-1-quinolin-1-ium-1-yl-ethenamine

Systemtic Name: methyl sulfate; (E)-2-phenyl-1-quinolin-1-ium-1-yl-ethenamine Openeye Name: methyl sulfate; (E)-2-phenyl-1-quinolin-1-ium-1-yl-ethenamine CAS Name: methyl sulfate; (E)-2-phenyl-1-(1-quinolin-1-iumyl)ethenamine IUPAC Name: methyl sulfate; (E)-2-phenyl-1-quinolin-1-ium-1-ylethenamine Traditional Name: methyl sulfate; [(E)-2-phenyl-1-quinolin-1-ium-1-yl-vinyl]amine Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N2.CH4O4S/c18-17(13-14-7-2-1-3-8-14)19-12-6-10-15-9-4-5-11-16(15)19;1-5-6(2,3)4/h1-13H,18H2;1H3,(H,2,3,4)/q+1;/p-1/b17-13+;