N-[(E)-furan-2-ylmethylideneamino]-1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-[(E)-furan-2-ylmethylideneamino]-1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: N-[(E)-2-furylmethyleneamino]-1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: N-[(E)-2-furanylmethylideneamino]-1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[(E)-furan-2-ylmethylideneamino]-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: N-[(E)-2-furfurylideneamino]-1-[2-keto-2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NN=CC3=CC=CO3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)N/N=C/C3=CC=CO3.[Br-]

InChI

InChI=1S/C20H17N3O4.BrH/c1-26-17-8-6-15(7-9-17)19(24)14-23-10-2-4-16(13-23)20(25)22-21-12-18-5-3-11-27-18;/h2-13H,14H2,1H3;1H/b21-12+;