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

Systemtic Name: 6-methyl-5-(phenylmethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(phenylmethyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Formula: C23H27N4O+ MolecularWeight: 375.48668

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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=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-18-21(16-19-8-4-2-5-9-19)22(28)25-23(24-18)27-14-12-26(13-15-27)17-20-10-6-3-7-11-20/h2-11H,12-17H2,1H3,(H,24,25,28)/p+1