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

Systemtic Name: 6-methyl-5-(naphthalen-1-ylmethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(1-naphthylmethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(1-naphthalenylmethyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(1-naphthylmethyl)-1H-pyrimidin-4-one Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N4O/c1-20-25(18-23-12-7-11-22-10-5-6-13-24(22)23)26(32)29-27(28-20)31-16-14-30(15-17-31)19-21-8-3-2-4-9-21/h2-13H,14-19H2,1H3,(H,28,29,32)/p+1