dimethyl(1-phenylprop-2-enyl)sulfanium; N-ethenyl-N-(phenylmethyl)aniline; chloride

Systemtic Name: dimethyl(1-phenylprop-2-enyl)sulfanium; N-ethenyl-N-(phenylmethyl)aniline; chloride Openeye Name: N-benzyl-N-vinyl-aniline; dimethyl(1-phenylallyl)sulfonium; chloride CAS Name: dimethyl(1-phenylprop-2-enyl)sulfonium; N-ethenyl-N-(phenylmethyl)aniline; chloride IUPAC Name: N-benzyl-N-ethenylaniline; dimethyl(1-phenylprop-2-enyl)sulfanium; chloride Traditional Name: benzyl-phenyl-vinyl-amine; dimethyl(1-phenylallyl)sulfonium; chloride Formula: C26H30ClNS MolecularWeight: 424.0411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C(C=C)C1=CC=CC=C1.C=CN(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[S+](C)C(C=C)C1=CC=CC=C1.C=CN(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H15N.C11H15S.ClH/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;1-4-11(12(2)3)10-8-6-5-7-9-10;/h2-12H,1,13H2;4-9,11H,1H2,2-3H3;1H/q;+1;/p-1