4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1H-imidazol-3-ium-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1H-imidazol-3-ium-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(E)-2-methyl-3-phenyl-allyl]-1H-imidazol-3-ium-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1H-imidazol-3-ium-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-3-methyl-1H-imidazol-3-ium-2-yl]-[(E)-2-methyl-3-phenyl-allyl]amine Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CNC2=[N+](C(=CN2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CNC2=[N+](C(=CN2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H21N3O2/c1-15(10-16-6-4-3-5-7-16)12-22-21-23-13-18(24(21)2)17-8-9-19-20(11-17)26-14-25-19/h3-11,13H,12,14H2,1-2H3,(H,22,23)/p+1/b15-10+