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

Systemtic Name: 2-[2-azanyl-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-1-imidazol-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methylimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-(2-amino-3-methyl-4-p-phenetyl-imidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-3-28-17-9-7-14(8-10-17)18-12-23(20(21)22(18)2)13-19(25)15-5-4-6-16(11-15)24(26)27/h4-12,21H,3,13H2,1-2H3/p+1