ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]ethanoate

Systemtic Name: ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]ethanoate Openeye Name: ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]acetate CAS Name: 2-[(2,4,6-triphenyl-1-pyridin-1-iumyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]acetate Traditional Name: 2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]acetic acid ethyl ester Formula: C27H25N2O2+ MolecularWeight: 409.4996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N2O2/c1-2-31-27(30)20-28-29-25(22-14-8-4-9-15-22)18-24(21-12-6-3-7-13-21)19-26(29)23-16-10-5-11-17-23/h3-19,28H,2,20H2,1H3/q+1