methyl 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-31-22(30)17-20-16-21(29)26-24(25-20)28-14-12-27(13-15-28)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,23H,12-15,17H2,1H3,(H,25,26,29)/p+1