5-ethoxy-1-methyl-4-phenyl-2-(phenylmethyl)-1-(pyridin-2-ylamino)pyrrol-1-ium-3-carbaldehyde

Systemtic Name: 5-ethoxy-1-methyl-4-phenyl-2-(phenylmethyl)-1-(pyridin-2-ylamino)pyrrol-1-ium-3-carbaldehyde Openeye Name: 2-benzyl-5-ethoxy-1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-carbaldehyde CAS Name: 5-ethoxy-1-methyl-4-phenyl-2-(phenylmethyl)-1-(2-pyridinylamino)-3-pyrrol-1-iumcarboxaldehyde IUPAC Name: 2-benzyl-5-ethoxy-1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-carbaldehyde Traditional Name: 2-benzyl-5-ethoxy-1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-carbaldehyde Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C([N+]1(C)NC2=CC=CC=N2)CC3=CC=CC=C3)C=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=C([N+]1(C)NC2=CC=CC=N2)CC3=CC=CC=C3)C=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N3O2/c1-3-31-26-25(21-14-8-5-9-15-21)22(19-30)23(18-20-12-6-4-7-13-20)29(26,2)28-24-16-10-11-17-27-24/h4-17,19H,3,18H2,1-2H3,(H,27,28)/q+1