(3-methoxy-3-oxidanylidene-propyl)-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: (3-methoxy-3-oxo-propyl)-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]ammonium CAS Name: (3-methoxy-3-oxopropyl)-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (3-methoxy-3-oxopropyl)-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: (3-keto-3-methoxy-propyl)-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH2+]CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH2+]CCC(=O)OC

InChI

InChI=1S/C22H25N3O2/c1-16-7-9-20(10-8-16)25-15-19(14-23-12-11-21(26)27-3)22(24-25)18-6-4-5-17(2)13-18/h4-10,13,15,23H,11-12,14H2,1-3H3/p+1