[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C18H22N5+ MolecularWeight: 308.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)CC3=NC=CN=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)CC3=NC=CN=C3)C

InChI

InChI=1S/C18H21N5/c1-13-4-5-15(8-14(13)2)18-16(9-21-22-18)11-23(3)12-17-10-19-6-7-20-17/h4-10H,11-12H2,1-3H3,(H,21,22)/p+1