[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-1-ium-4-yl)methanone

Systemtic Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-1-ium-4-yl)methanone Openeye Name: [(3S)-3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]-1-piperidyl]-(1-methylpiperidin-1-ium-4-yl)methanone CAS Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-(1-methyl-4-piperidin-1-iumyl)methanone IUPAC Name: [(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-1-ium-4-yl)methanone Traditional Name: [(3S)-3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidino]-(1-methylpiperidin-1-ium-4-yl)methanone Formula: C24H33N4O+ MolecularWeight: 393.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2[C@H]3CCCN(C3)C(=O)C4CC[NH+](CC4)C)C

InChI

InChI=1S/C24H32N4O/c1-17-6-4-7-20(14-17)22-15-25-18(2)26-23(22)21-8-5-11-28(16-21)24(29)19-9-12-27(3)13-10-19/h4,6-7,14-15,19,21H,5,8-13,16H2,1-3H3/p+1/t21-/m0/s1