methyl 4-methyl-2-[3-(4-methylpentan-2-yl)-2-oxidanylidene-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]pentanoate

Systemtic Name: methyl 4-methyl-2-[3-(4-methylpentan-2-yl)-2-oxidanylidene-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]pentanoate Openeye Name: methyl 2-[3-(1,3-dimethylbutyl)-2-oxo-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methyl-pentanoate CAS Name: 4-methyl-2-[3-(4-methylpentan-2-yl)-2-oxo-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[3-(4-methylpentan-2-yl)-2-oxo-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]pentanoate Traditional Name: 2-[3-(1,3-dimethylbutyl)-2-keto-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methyl-valeric acid methyl ester Formula: C17H32N2O3P+ MolecularWeight: 343.421341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1CC=CCN([P+]1=O)C(CC(C)C)C(=O)OC

Isomeric SMILES

CC(C)CC(C)N1CC=CCN([P+]1=O)C(CC(C)C)C(=O)OC

InChI

InChI=1S/C17H32N2O3P/c1-13(2)11-15(5)18-9-7-8-10-19(23(18)21)16(12-14(3)4)17(20)22-6/h7-8,13-16H,9-12H2,1-6H3/q+1