(8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methyl-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]azanium

Systemtic Name: (8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methyl-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]azanium Openeye Name: [8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl-[[(3R)-1-pyrimidin-2-yl-3-piperidyl]methyl]ammonium CAS Name: [8-methyl-2-[oxo(1-piperidinyl)methyl]-3-imidazo[1,2-a]pyridinyl]methyl-[[(3R)-1-(2-pyrimidinyl)-3-piperidinyl]methyl]ammonium IUPAC Name: [8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]azanium Traditional Name: [8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl-[[(3R)-1-(2-pyrimidyl)-3-piperidyl]methyl]ammonium Formula: C25H34N7O+ MolecularWeight: 448.58376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2C[NH2+]CC3CCCN(C3)C4=NC=CC=N4)C(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2C[NH2+]C[C@H]3CCCN(C3)C4=NC=CC=N4)C(=O)N5CCCCC5

InChI

InChI=1S/C25H33N7O/c1-19-8-5-15-32-21(22(29-23(19)32)24(33)30-12-3-2-4-13-30)17-26-16-20-9-6-14-31(18-20)25-27-10-7-11-28-25/h5,7-8,10-11,15,20,26H,2-4,6,9,12-14,16-18H2,1H3/p+1/t20-/m1/s1