[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-[(2R)-1-pyrazin-2-ylpropan-2-yl]azanium

Systemtic Name: [1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-[(2R)-1-pyrazin-2-ylpropan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-pyrazin-2-yl-ethyl]-[1-[3-(o-tolyl)phenyl]-4-piperidyl]ammonium CAS Name: [1-[3-(2-methylphenyl)phenyl]-4-piperidinyl]-[(2R)-1-(2-pyrazinyl)propan-2-yl]ammonium IUPAC Name: [1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-[(2R)-1-pyrazin-2-ylpropan-2-yl]azanium Traditional Name: [(1R)-1-methyl-2-pyrazin-2-yl-ethyl]-[1-[3-(o-tolyl)phenyl]-4-piperidyl]ammonium Formula: C25H31N4+ MolecularWeight: 387.54044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4/c1-19-6-3-4-9-25(19)21-7-5-8-24(17-21)29-14-10-22(11-15-29)28-20(2)16-23-18-26-12-13-27-23/h3-9,12-13,17-18,20,22,28H,10-11,14-16H2,1-2H3/p+1/t20-/m1/s1