2-(cyclohexen-1-ylmethyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-(cyclohexen-1-ylmethyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Openeye Name: 2-(cyclohexen-1-ylmethyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one CAS Name: 2-(1-cyclohexenylmethyl)-6-(1-methyl-4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-(cyclohexen-1-ylmethyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-(cyclohexen-1-ylmethyl)-6-(1-methylpiperidin-1-ium-4-yl)-1H-pyrimidin-4-one Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)CC3=CCCCC3

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)CC3=CCCCC3

InChI

InChI=1S/C17H25N3O/c1-20-9-7-14(8-10-20)15-12-17(21)19-16(18-15)11-13-5-3-2-4-6-13/h5,12,14H,2-4,6-11H2,1H3,(H,18,19,21)/p+1