8-oxidanylidene-7-(5-oxidanylpentyl)-5-phenyl-7-(phenylmethyl)-1,7-naphthyridin-7-ium-6-carboxamide

Systemtic Name: 8-oxidanylidene-7-(5-oxidanylpentyl)-5-phenyl-7-(phenylmethyl)-1,7-naphthyridin-7-ium-6-carboxamide Openeye Name: 7-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridin-7-ium-6-carboxamide CAS Name: 7-(5-hydroxypentyl)-8-oxo-5-phenyl-7-(phenylmethyl)-1,7-naphthyridin-7-ium-6-carboxamide IUPAC Name: 7-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridin-7-ium-6-carboxamide Traditional Name: 7-benzyl-7-(5-hydroxypentyl)-8-keto-5-phenyl-1,7-naphthyridin-7-ium-6-carboxamide Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2(C(=C(C3=C(C2=O)N=CC=C3)C4=CC=CC=C4)C(=O)N)CCCCCO

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2(C(=C(C3=C(C2=O)N=CC=C3)C4=CC=CC=C4)C(=O)N)CCCCCO

InChI

InChI=1S/C27H27N3O3/c28-26(32)25-23(21-13-6-2-7-14-21)22-15-10-16-29-24(22)27(33)30(25,17-8-3-9-18-31)19-20-11-4-1-5-12-20/h1-2,4-7,10-16,31H,3,8-9,17-19H2,(H-,28,32)/p+1