6-methyl-5-(phenylmethyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(phenylmethyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-methyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(phenylmethyl)-2-(1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-methyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-methyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH2+]CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH2+]CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O/c1-12-14(11-13-5-3-2-4-6-13)15(21)19-16(18-12)20-9-7-17-8-10-20/h2-6,17H,7-11H2,1H3,(H,18,19,21)/p+1