ethyl 3-oxidanylidene-3-[pyridin-1-ium-1-yl-[[1-(triphenylmethyl)imidazol-4-yl]methyl]amino]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-[pyridin-1-ium-1-yl-[[1-(triphenylmethyl)imidazol-4-yl]methyl]amino]propanoate Openeye Name: ethyl 3-oxo-3-[pyridin-1-ium-1-yl-[(1-tritylimidazol-4-yl)methyl]amino]propanoate CAS Name: 3-oxo-3-[1-pyridin-1-iumyl-[[1-(triphenylmethyl)-4-imidazolyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-3-[pyridin-1-ium-1-yl-[(1-tritylimidazol-4-yl)methyl]amino]propanoate Traditional Name: 3-keto-3-[pyridin-1-ium-1-yl-[(1-tritylimidazol-4-yl)methyl]amino]propionic acid ethyl ester Formula: C33H31N4O3+ MolecularWeight: 531.62424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+]5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CC(=O)N(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+]5=CC=CC=C5

InChI

InChI=1S/C33H31N4O3/c1-2-40-32(39)23-31(38)37(36-21-13-6-14-22-36)25-30-24-35(26-34-30)33(27-15-7-3-8-16-27,28-17-9-4-10-18-28)29-19-11-5-12-20-29/h3-22,24,26H,2,23,25H2,1H3/q+1