3-[[(2E)-2-[1-[(3-methanoyl-5-methyl-2-oxidanyl-phenyl)methyl]pyridin-1-ium-2-yl]iminopyridin-1-yl]methyl]-5-methyl-2-oxidanyl-benzaldehyde

Systemtic Name: 3-[[(2E)-2-[1-[(3-methanoyl-5-methyl-2-oxidanyl-phenyl)methyl]pyridin-1-ium-2-yl]iminopyridin-1-yl]methyl]-5-methyl-2-oxidanyl-benzaldehyde Openeye Name: 3-[[(2E)-2-[1-[(3-formyl-2-hydroxy-5-methyl-phenyl)methyl]pyridin-1-ium-2-yl]imino-1-pyridyl]methyl]-2-hydroxy-5-methyl-benzaldehyde CAS Name: 3-[[(2E)-2-[[1-[(3-formyl-2-hydroxy-5-methylphenyl)methyl]-2-pyridin-1-iumyl]imino]-1-pyridinyl]methyl]-2-hydroxy-5-methylbenzaldehyde IUPAC Name: 3-[[(2E)-2-[1-[(3-formyl-2-hydroxy-5-methylphenyl)methyl]pyridin-1-ium-2-yl]iminopyridin-1-yl]methyl]-2-hydroxy-5-methylbenzaldehyde Traditional Name: 3-[[(2E)-2-[1-(3-formyl-2-hydroxy-5-methyl-benzyl)pyridin-1-ium-2-yl]imino-1-pyridyl]methyl]-2-hydroxy-5-methyl-benzaldehyde Formula: C28H26N3O4+ MolecularWeight: 468.52374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=O)O)CN2C=CC=CC2=NC3=CC=CC=[N+]3CC4=C(C(=CC(=C4)C)C=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C=O)O)CN\2C=CC=C/C2=N\C3=CC=CC=[N+]3CC4=C(C(=CC(=C4)C)C=O)O

InChI

InChI=1S/C28H25N3O4/c1-19-11-21(27(34)23(13-19)17-32)15-30-9-5-3-7-25(30)29-26-8-4-6-10-31(26)16-22-12-20(2)14-24(18-33)28(22)35/h3-14,17-18H,15-16H2,1-2H3,(H-,32,33,34,35)/p+1