methyl 4-[[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]methyl]benzoate Openeye Name: methyl 4-[[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]methyl]benzoate CAS Name: 4-[[1-amino-4-(4-methylphenyl)-2-phthalazin-2-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-amino-4-(4-methylphenyl)phthalazin-2-ium-2-yl]methyl]benzoate Traditional Name: 4-[[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]methyl]benzoic acid methyl ester Formula: C24H22N3O2+ MolecularWeight: 384.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H21N3O2/c1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)23(25)27(26-22)15-17-9-13-19(14-10-17)24(28)29-2/h3-14,25H,15H2,1-2H3/p+1