2-(3-phenylpropyl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-(3-phenylpropyl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Openeye Name: 2-(3-phenylpropyl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one CAS Name: 2-(3-phenylpropyl)-6-(4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-(3-phenylpropyl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Traditional Name: 2-(3-phenylpropyl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O/c22-18-13-16(15-9-11-19-12-10-15)20-17(21-18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,13,15,19H,4,7-12H2,(H,20,21,22)/p+1