[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-ethyl-(phenylmethyl)azanium

Systemtic Name: [4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-ethyl-ammonium CAS Name: [4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-ethylazanium Traditional Name: benzyl-[4-(chloromethyl)-2,5-dimethyl-3-pyrazolin-3-ylidene]-ethyl-ammonium Formula: C15H21ClN3+ MolecularWeight: 278.80034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C(=C(NN1C)C)CCl)CC2=CC=CC=C2

Isomeric SMILES

CC[N+](=C1C(=C(NN1C)C)CCl)CC2=CC=CC=C2

InChI

InChI=1S/C15H20ClN3/c1-4-19(11-13-8-6-5-7-9-13)15-14(10-16)12(2)17-18(15)3/h5-9H,4,10-11H2,1-3H3/p+1