(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (2,4-dimethyl-6-pyrazol-1-yl-benzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C21H27N6+ MolecularWeight: 363.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H26N6/c1-16-12-17(2)19(20(13-16)27-11-5-9-25-27)14-24-18-6-3-10-26(15-18)21-22-7-4-8-23-21/h4-5,7-9,11-13,18,24H,3,6,10,14-15H2,1-2H3/p+1/t18-/m0/s1