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

Systemtic Name: [3-azanyl-2-methyl-4-(phenylmethyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-azanium Openeye Name: (3-amino-4-benzyl-2-methyl-1H-pyrazol-2-ium-5-yl)methyl-dimethyl-ammonium CAS Name: [3-amino-2-methyl-4-(phenylmethyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethylammonium IUPAC Name: (3-amino-4-benzyl-2-methyl-1H-pyrazol-2-ium-5-yl)methyl-dimethylazanium Traditional Name: (3-amino-4-benzyl-2-methyl-1H-pyrazol-2-ium-5-yl)methyl-dimethyl-ammonium Formula: C14H22N4+2 MolecularWeight: 246.35128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1)C[NH+](C)C)CC2=CC=CC=C2)N

Isomeric SMILES

C[N+]1=C(C(=C(N1)C[NH+](C)C)CC2=CC=CC=C2)N

InChI

InChI=1S/C14H20N4/c1-17(2)10-13-12(14(15)18(3)16-13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,16)/p+2