3-(3-aminophenyl)-1-[(2-chlorophenyl)methyl]-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-(3-aminophenyl)-1-[(2-chlorophenyl)methyl]-3H-pyridazin-1-ium-6-one Openeye Name: 3-(3-aminophenyl)-1-[(2-chlorophenyl)methyl]-3H-pyridazin-1-ium-6-one CAS Name: 3-(3-aminophenyl)-1-[(2-chlorophenyl)methyl]-3H-pyridazin-1-ium-6-one IUPAC Name: 3-(3-aminophenyl)-1-[(2-chlorophenyl)methyl]-3H-pyridazin-1-ium-6-one Traditional Name: 3-(3-aminophenyl)-1-(2-chlorobenzyl)-3H-pyridazin-1-ium-6-one Formula: C17H15ClN3O+ MolecularWeight: 312.7735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN3O/c18-15-7-2-1-4-13(15)11-21-17(22)9-8-16(20-21)12-5-3-6-14(19)10-12/h1-10,16H,11,19H2/q+1