[(3R)-3-cyano-5-[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-4-[2-[cyclohexyl(methyl)carbamoyl]benzoyl]oxy-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[[2-[[cyclohexyl(methyl)amino]-oxomethyl]phenyl]-oxomethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-[2-[cyclohexyl(methyl)carbamoyl]benzoyl]oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-3-[2-[cyclohexyl(methyl)carbamoyl]benzoyl]oxy-2-keto-propyl]vinylammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=C)[NH3+]

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)[C@@H](C#N)C(=C)[NH3+]

InChI

InChI=1S/C21H25N3O4/c1-14(23)18(12-22)19(25)13-28-21(27)17-11-7-6-10-16(17)20(26)24(2)15-8-4-3-5-9-15/h6-7,10-11,15,18H,1,3-5,8-9,13,23H2,2H3/p+1/t18-/m0/s1