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

Systemtic Name: 5-(dimethylaminomethyl)-4-methyl-2-(phenylmethyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-benzyl-5-(dimethylaminomethyl)-4-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 5-(dimethylaminomethyl)-4-methyl-2-(phenylmethyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-benzyl-5-(dimethylaminomethyl)-4-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: (3-amino-2-benzyl-4-methyl-1H-pyrazol-2-ium-5-yl)methyl-dimethyl-amine Formula: C14H21N4+ MolecularWeight: 245.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N[N+](=C1N)CC2=CC=CC=C2)CN(C)C

Isomeric SMILES

CC1=C(N[N+](=C1N)CC2=CC=CC=C2)CN(C)C

InChI

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