4-[[2,4-bis(oxidanylidene)-1-(phenylmethyl)-1,8-naphthyridin-3-yl]-methyl-sulfonio]phenolate

Systemtic Name: 4-[[2,4-bis(oxidanylidene)-1-(phenylmethyl)-1,8-naphthyridin-3-yl]-methyl-sulfonio]phenolate Openeye Name: 4-[(1-benzyl-2,4-dioxo-1,8-naphthyridin-3-yl)-methyl-sulfonio]phenolate CAS Name: 4-[[2,4-dioxo-1-(phenylmethyl)-1,8-naphthyridin-3-yl]-methylsulfonio]phenolate IUPAC Name: 4-[(1-benzyl-2,4-dioxo-1,8-naphthyridin-3-yl)-methylsulfonio]phenolate Traditional Name: 4-[(1-benzyl-2,4-diketo-1,8-naphthyridin-3-yl)-methyl-sulfonio]phenolate Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C1C(=O)C2=C(N=CC=C2)N(C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[O-]

Isomeric SMILES

C[S+](C1C(=O)C2=C(N=CC=C2)N(C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C22H18N2O3S/c1-28(17-11-9-16(25)10-12-17)20-19(26)18-8-5-13-23-21(18)24(22(20)27)14-15-6-3-2-4-7-15/h2-13,20H,14H2,1H3