[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(3-isopropoxypropyl)ammonium Formula: C19H27N4O+ MolecularWeight: 327.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2)CCC#N

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C19H26N4O/c1-16(2)24-13-7-11-21-14-18-15-23(12-6-10-20)22-19(18)17-8-4-3-5-9-17/h3-5,8-9,15-16,21H,6-7,11-14H2,1-2H3/p+1