(4aS,4bR,10bS,12aS)-2-butyl-12a-methyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione iodide

Systemtic Name: (4aS,4bR,10bS,12aS)-2-butyl-12a-methyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione iodide Openeye Name: (4aS,4bR,10bS,12aS)-2-butyl-12a-methyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione iodide CAS Name: (4aS,4bR,10bS,12aS)-2-butyl-12a-methyl-8-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethoxy]-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione iodide IUPAC Name: (4aS,4bR,10bS,12aS)-2-butyl-12a-methyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione iodide Traditional Name: (4aS,4bR,10bS,12aS)-2-butyl-12a-methyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-4,4a,4b,5,6,10b,11,12-octahydronaphth[2,1-f]isoquinoline-1,3-quinone iodide Formula: C29H43IN2O3 MolecularWeight: 594.56779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OCC[N+]5(CCCC5)C.[I-]

Isomeric SMILES

CCCCN1C(=O)C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)OCC[N+]5(CCCC5)C.[I-]

InChI

InChI=1S/C29H43N2O3.HI/c1-4-5-14-30-27(32)20-26-25-10-8-21-19-22(34-18-17-31(3)15-6-7-16-31)9-11-23(21)24(25)12-13-29(26,2)28(30)33;/h9,11,19,24-26H,4-8,10,12-18,20H2,1-3H3;1H/q+1;/p-1/t24-,25-,26+,29+;/m1./s1