[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(3-pyridin-3-yloxypropyl)azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[3-(3-pyridyloxy)propyl]ammonium Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CCCOC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CCCOC3=CN=CC=C3)C

InChI

InChI=1S/C20H24N4O/c1-15-6-7-17(11-16(15)2)20-18(13-23-24-20)12-21-9-4-10-25-19-5-3-8-22-14-19/h3,5-8,11,13-14,21H,4,9-10,12H2,1-2H3,(H,23,24)/p+1