3-acetyloxy-4-[dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxidanylidene-hexyl]carbamoyl]azaniumyl]butanoate

Systemtic Name: 3-acetyloxy-4-[dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxidanylidene-hexyl]carbamoyl]azaniumyl]butanoate Openeye Name: 3-acetoxy-4-[dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxo-hexyl]carbamoyl]ammonio]butanoate CAS Name: 3-acetyloxy-4-[dimethyl-[[[6-[2-(4-nitrophenyl)ethoxy]-6-oxohexyl]amino]-oxomethyl]ammonio]butanoate IUPAC Name: 3-acetyloxy-4-[dimethyl-[[6-[2-(4-nitrophenyl)ethoxy]-6-oxohexyl]carbamoyl]azaniumyl]butanoate Traditional Name: 3-acetoxy-4-[[6-keto-6-[2-(4-nitrophenyl)ethoxy]hexyl]carbamoyl-dimethyl-ammonio]butyrate Formula: C23H33N3O9 MolecularWeight: 495.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)NCCCCCC(=O)OCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)NCCCCCC(=O)OCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C23H33N3O9/c1-17(27)35-20(15-21(28)29)16-26(2,3)23(31)24-13-6-4-5-7-22(30)34-14-12-18-8-10-19(11-9-18)25(32)33/h8-11,20H,4-7,12-16H2,1-3H3,(H-,24,28,29,31)