[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: (1-methylpyrazol-4-yl)methyl-[1-[3-(o-tolyl)phenyl]-4-piperidyl]ammonium CAS Name: [1-[3-(2-methylphenyl)phenyl]-4-piperidinyl]-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: (1-methylpyrazol-4-yl)methyl-[1-[3-(o-tolyl)phenyl]-4-piperidyl]ammonium Formula: C23H29N4+ MolecularWeight: 361.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCC(CC3)[NH2+]CC4=CN(N=C4)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCC(CC3)[NH2+]CC4=CN(N=C4)C

InChI

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