(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(phenylmethyl)azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: benzyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]ammonium Formula: C18H19ClN3+ MolecularWeight: 312.81656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]CC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3/c1-14-17(13-20-12-15-8-4-2-5-9-15)18(19)22(21-14)16-10-6-3-7-11-16/h2-11,20H,12-13H2,1H3/p+1