2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-isopropyl-1H-pyrimidin-4-one CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-isopropyl-1H-pyrimidin-4-one Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c1-14(2)16-12-17(23)20-18(19-16)22-10-8-21(9-11-22)13-15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,19,20,23)/p+1