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

Systemtic Name: 6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-propyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-propyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-propyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-propyl-1H-pyrimidin-4-one Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O/c1-3-7-17-15(2)20-19(21-18(17)24)23-12-10-22(11-13-23)14-16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,20,21,24)/p+1