[3-azanyl-4-(3-methoxyphenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-azanium

Systemtic Name: [3-azanyl-4-(3-methoxyphenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-azanium Openeye Name: [3-amino-4-(3-methoxyphenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-ammonium CAS Name: [3-amino-4-(3-methoxyphenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethylammonium IUPAC Name: [3-amino-4-(3-methoxyphenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethylazanium Traditional Name: [3-amino-4-(3-methoxyphenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-ammonium Formula: C13H20N4O+2 MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C(=[NH+]N1)N)C2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)CC1=C(C(=[NH+]N1)N)C2=CC(=CC=C2)OC

InChI

InChI=1S/C13H18N4O/c1-17(2)8-11-12(13(14)16-15-11)9-5-4-6-10(7-9)18-3/h4-7H,8H2,1-3H3,(H3,14,15,16)/p+2