2-[(3-chlorophenyl)methyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methyl]-6-(4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Traditional Name: 2-(3-chlorobenzyl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Formula: C16H19ClN3O+ MolecularWeight: 304.79456

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3O/c17-13-3-1-2-11(8-13)9-15-19-14(10-16(21)20-15)12-4-6-18-7-5-12/h1-3,8,10,12,18H,4-7,9H2,(H,19,20,21)/p+1