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

Systemtic Name: ethyl 2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-2-32-23(31)18-21-17-22(30)27-25(26-21)29-15-13-28(14-16-29)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,24H,2,13-16,18H2,1H3,(H,26,27,30)/p+1