2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-(methoxymethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-(methoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-(methoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-(methoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-(methoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-6-(methoxymethyl)-1H-pyrimidin-4-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-17-20-16-21(28)25-23(24-20)27-14-12-26(13-15-27)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,22H,12-15,17H2,1H3,(H,24,25,28)/p+1