2-[2-azanyl-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 2-[2-azanyl-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-1-imidazol-1-iumyl]-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methylimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-(2-amino-3-methyl-4-p-phenetyl-imidazol-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-3-26-16-7-4-14(5-8-16)17-11-24(21(22)23(17)2)12-18(25)15-6-9-19-20(10-15)28-13-27-19/h4-11,22H,3,12-13H2,1-2H3/p+1