[1-(3-methylphenyl)imidazol-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [1-(3-methylphenyl)imidazol-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [1-(m-tolyl)imidazol-2-yl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [1-(3-methylphenyl)-2-imidazolyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [1-(3-methylphenyl)imidazol-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [1-(m-tolyl)imidazol-2-yl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H25N6+ MolecularWeight: 349.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6/c1-16-5-2-7-18(13-16)26-12-10-21-19(26)14-24-17-6-3-11-25(15-17)20-22-8-4-9-23-20/h2,4-5,7-10,12-13,17,24H,3,6,11,14-15H2,1H3/p+1/t17-/m0/s1