diethyl (E)-2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]but-2-enedioate

Systemtic Name: diethyl (E)-2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]but-2-enedioate Openeye Name: diethyl (E)-2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]but-2-enedioate CAS Name: (E)-2-[(2,4,6-triphenyl-1-pyridin-1-iumyl)amino]-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]but-2-enedioate Traditional Name: (E)-2-[(2,4,6-triphenylpyridin-1-ium-1-yl)amino]but-2-enedioic acid diethyl ester Formula: C31H29N2O4+ MolecularWeight: 493.57296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O4/c1-3-36-30(34)22-27(31(35)37-4-2)32-33-28(24-16-10-6-11-17-24)20-26(23-14-8-5-9-15-23)21-29(33)25-18-12-7-13-19-25/h5-22H,3-4H2,1-2H3/p+1