3-(3-aminophenyl)-1-[(4-methylphenyl)methyl]-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-(3-aminophenyl)-1-[(4-methylphenyl)methyl]-3H-pyridazin-1-ium-6-one Openeye Name: 3-(3-aminophenyl)-1-(p-tolylmethyl)-3H-pyridazin-1-ium-6-one CAS Name: 3-(3-aminophenyl)-1-[(4-methylphenyl)methyl]-3H-pyridazin-1-ium-6-one IUPAC Name: 3-(3-aminophenyl)-1-[(4-methylphenyl)methyl]-3H-pyridazin-1-ium-6-one Traditional Name: 3-(3-aminophenyl)-1-(4-methylbenzyl)-3H-pyridazin-1-ium-6-one Formula: C18H18N3O+ MolecularWeight: 292.35502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=NC(C=CC2=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=NC(C=CC2=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C18H18N3O/c1-13-5-7-14(8-6-13)12-21-18(22)10-9-17(20-21)15-3-2-4-16(19)11-15/h2-11,17H,12,19H2,1H3/q+1