1-(2-azanyl-3-methyl-4-phenyl-imidazol-1-ium-1-yl)propan-2-one

Systemtic Name: 1-(2-azanyl-3-methyl-4-phenyl-imidazol-1-ium-1-yl)propan-2-one Openeye Name: 1-(2-amino-3-methyl-4-phenyl-imidazol-1-ium-1-yl)propan-2-one CAS Name: 1-(2-amino-3-methyl-4-phenyl-1-imidazol-1-iumyl)-2-propanone IUPAC Name: 1-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)propan-2-one Traditional Name: 1-(2-amino-3-methyl-4-phenyl-imidazol-1-ium-1-yl)acetone Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(N(C(=C1)C2=CC=CC=C2)C)N

Isomeric SMILES

CC(=O)C[N+]1=C(N(C(=C1)C2=CC=CC=C2)C)N

InChI

InChI=1S/C13H15N3O/c1-10(17)8-16-9-12(15(2)13(16)14)11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3/p+1