5-(dimethylaminomethyl)-4-(3-methoxyphenyl)-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 5-(dimethylaminomethyl)-4-(3-methoxyphenyl)-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 5-(dimethylaminomethyl)-4-(3-methoxyphenyl)-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 5-(dimethylaminomethyl)-4-(3-methoxyphenyl)-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-(dimethylaminomethyl)-4-(3-methoxyphenyl)-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [3-amino-4-(3-methoxyphenyl)-2-methyl-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-amine Formula: C14H21N4O+ MolecularWeight: 261.34274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1)CN(C)C)C2=CC(=CC=C2)OC)N

Isomeric SMILES

C[N+]1=C(C(=C(N1)CN(C)C)C2=CC(=CC=C2)OC)N

InChI

InChI=1S/C14H20N4O/c1-17(2)9-12-13(14(15)18(3)16-12)10-6-5-7-11(8-10)19-4/h5-8H,9H2,1-4H3,(H2,15,16)/p+1