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

Systemtic Name: 2-[2-azanyl-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-1-imidazol-1-iumyl]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-(2-amino-3-methyl-4-p-phenetyl-imidazol-1-ium-1-yl)-1-p-phenetyl-ethanone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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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=C(C=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-4-27-18-10-6-16(7-11-18)20-14-25(22(23)24(20)3)15-21(26)17-8-12-19(13-9-17)28-5-2/h6-14,23H,4-5,15H2,1-3H3/p+1