4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-[(4-isopropylphenyl)methyl]-3-methyl-1H-imidazol-3-ium-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-3-methyl-1H-imidazol-3-ium-2-yl]-(4-isopropylbenzyl)amine Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-14(2)16-6-4-15(5-7-16)11-22-21-23-12-18(24(21)3)17-8-9-19-20(10-17)26-13-25-19/h4-10,12,14H,11,13H2,1-3H3,(H,22,23)/p+1