[(3S)-3-cyano-5-[(3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-5-[(3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-4-[(3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]oxy-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-3-cyano-5-[[(3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-5-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-[(3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carbonyl]oxy-propyl]vinylammonium Formula: C18H20N3O5+ MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)C(C#N)C(=C)[NH3+]

Isomeric SMILES

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)[C@H](C#N)C(=C)[NH3+]

InChI

InChI=1S/C18H19N3O5/c1-11(20)13(8-19)15(22)10-26-18(24)12-7-17(23)21(9-12)14-5-3-4-6-16(14)25-2/h3-6,12-13H,1,7,9-10,20H2,2H3/p+1/t12-,13+/m0/s1