methyl-[4-oxidanyl-4,4-di(thiophen-3-yl)butan-2-yl]-dipropyl-azanium iodide

Systemtic Name: methyl-[4-oxidanyl-4,4-di(thiophen-3-yl)butan-2-yl]-dipropyl-azanium iodide Openeye Name: [3-hydroxy-1-methyl-3,3-bis(3-thienyl)propyl]-methyl-dipropyl-ammonium iodide CAS Name: [4-hydroxy-4,4-bis(3-thiophenyl)butan-2-yl]-methyl-dipropylammonium iodide IUPAC Name: [4-hydroxy-4,4-di(thiophen-3-yl)butan-2-yl]-methyl-dipropylazanium iodide Traditional Name: [3-hydroxy-1-methyl-3,3-bis(3-thienyl)propyl]-methyl-dipropyl-ammonium iodide Formula: C19H30INOS2 MolecularWeight: 479.48207

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CCC)C(C)CC(C1=CSC=C1)(C2=CSC=C2)O.[I-]

Isomeric SMILES

CCC[N+](C)(CCC)C(C)CC(C1=CSC=C1)(C2=CSC=C2)O.[I-]

InChI

InChI=1S/C19H30NOS2.HI/c1-5-9-20(4,10-6-2)16(3)13-19(21,17-7-11-22-14-17)18-8-12-23-15-18;/h7-8,11-12,14-16,21H,5-6,9-10,13H2,1-4H3;1H/q+1;/p-1