[3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [3-(5-benzyl-2-methyl-pyrimidin-4-yl)-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [3-[2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperidinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [3-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [3-(5-benzyl-2-methyl-pyrimidin-4-yl)piperidino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2/c1-17-24-15-21(14-18-6-3-2-4-7-18)22(25-17)20-8-5-11-26(16-20)23(28)19-9-12-27(29)13-10-19/h2-4,6-7,9-10,12-13,15,20H,5,8,11,14,16H2,1H3