4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [4-(3-chlorobenzyl)-2-methyl-1H-pyrazol-2-ium-3-yl]amine Formula: C11H13ClN3+ MolecularWeight: 222.69402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)CC2=CC(=CC=C2)Cl)N

Isomeric SMILES

C[N+]1=C(C(=CN1)CC2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C11H12ClN3/c1-15-11(13)9(7-14-15)5-8-3-2-4-10(12)6-8/h2-4,6-7H,5H2,1H3,(H2,13,14)/p+1