[(5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-oxidanylidene-cyclohexylidene]-(2-methoxyphenyl)azanium

Systemtic Name: [(5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-oxidanylidene-cyclohexylidene]-(2-methoxyphenyl)azanium Openeye Name: [(5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-oxo-cyclohexylidene]-(2-methoxyphenyl)ammonium CAS Name: [(5S)-5-[(2S)-2-(ethylthio)propyl]-3-oxo-2-(1-oxobutyl)cyclohexylidene]-(2-methoxyphenyl)ammonium IUPAC Name: [(5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-oxocyclohexylidene]-(2-methoxyphenyl)azanium Traditional Name: [(5S)-2-butyryl-5-[(2S)-2-(ethylthio)propyl]-3-keto-cyclohexylidene]-(2-methoxyphenyl)ammonium Formula: C22H32NO3S+ MolecularWeight: 390.55938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=[NH+]C2=CC=CC=C2OC)CC(CC1=O)CC(C)SCC

Isomeric SMILES

CCCC(=O)C1C(=[NH+]C2=CC=CC=C2OC)C[C@@H](CC1=O)C[C@H](C)SCC

InChI

InChI=1S/C22H31NO3S/c1-5-9-19(24)22-18(23-17-10-7-8-11-21(17)26-4)13-16(14-20(22)25)12-15(3)27-6-2/h7-8,10-11,15-16,22H,5-6,9,12-14H2,1-4H3/p+1/t15-,16-,22?/m0/s1