6-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyrimidin-4-one Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C[NH+]2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)C[NH+]2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O/c1-13-11-17(21)19-16(18-13)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)/p+1