2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one CAS Name: 2-[3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]-6-(3-methyl-2-pyrazinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=NC=CN=C4C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=NC=CN=C4C

InChI

InChI=1S/C22H25N5O/c1-15-5-4-10-27(13-15)14-17-6-3-7-18(11-17)22-25-19(12-20(28)26-22)21-16(2)23-8-9-24-21/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3,(H,25,26,28)/p+1/t15-/m0/s1