[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl-tripropyl-azanium iodide

Systemtic Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl-tripropyl-azanium iodide Openeye Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl-tripropyl-ammonium iodide CAS Name: [[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy-oxomethoxy]methyl-tripropylammonium iodide IUPAC Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl-tripropylazanium iodide Traditional Name: [(3S,8R,9S,10R,13S,14S)-17-keto-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl-tripropyl-ammonium iodide Formula: C30H50INO4 MolecularWeight: 615.62677

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)COC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C.[I-]

Isomeric SMILES

CCC[N+](CCC)(CCC)COC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C.[I-]

InChI

InChI=1S/C30H50NO4.HI/c1-6-17-31(18-7-2,19-8-3)21-34-28(33)35-23-13-15-29(4)22(20-23)9-10-24-25-11-12-27(32)30(25,5)16-14-26(24)29;/h9,23-26H,6-8,10-21H2,1-5H3;1H/q+1;/p-1/t23-,24-,25-,26-,29-,30-;/m0./s1