(1-phenylpyrazol-4-yl)methyl-propyl-azanium

Systemtic Name: (1-phenylpyrazol-4-yl)methyl-propyl-azanium Openeye Name: (1-phenylpyrazol-4-yl)methyl-propyl-ammonium CAS Name: (1-phenyl-4-pyrazolyl)methyl-propylammonium IUPAC Name: (1-phenylpyrazol-4-yl)methyl-propylazanium Traditional Name: (1-phenylpyrazol-4-yl)methyl-propyl-ammonium Formula: C13H18N3+ MolecularWeight: 216.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCC[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3/c1-2-8-14-9-12-10-15-16(11-12)13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9H2,1H3/p+1