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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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