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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-phenylpiperidin-4-yl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-phenyl-4-piperidyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-phenyl-4-piperidinyl)ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-phenylpiperidin-4-yl)azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-phenyl-4-piperidyl)ammonium Formula: C23H29N4+ MolecularWeight: 361.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]C3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]C3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4/c1-17-8-9-19(14-18(17)2)23-20(16-25-26-23)15-24-21-10-12-27(13-11-21)22-6-4-3-5-7-22/h3-9,14,16,21,24H,10-13,15H2,1-2H3,(H,25,26)/p+1