(2S)-4-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)amino]-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-olate

Systemtic Name: (2S)-4-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)amino]-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-olate Openeye Name: (2S)-4-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]amino]-4-oxo-1-(trimethylammonio)butan-2-olate CAS Name: (2S)-4-[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-4-oxo-1-(trimethylammonio)-2-butanolate IUPAC Name: (2S)-4-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)amino]-4-oxo-1-(trimethylazaniumyl)butan-2-olate Traditional Name: (2S)-4-keto-4-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]amino]-1-(trimethylammonio)butan-2-olate Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3)[O-]

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3)[O-]

InChI

InChI=1S/C24H25N3O3/c1-27(2,3)15-20(28)14-23(29)25-19-10-11-22-21(13-19)26-24(30-22)18-9-8-16-6-4-5-7-17(16)12-18/h4-13,20H,14-15H2,1-3H3,(H,25,29)/t20-/m0/s1