3a-(3-methoxyphenyl)-1,1-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-ium hydroxide

Systemtic Name: 3a-(3-methoxyphenyl)-1,1-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-ium hydroxide Openeye Name: 3a-(3-methoxyphenyl)-1,1-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-ium hydroxide CAS Name: 3a-(3-methoxyphenyl)-1,1-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-ium hydroxide IUPAC Name: 3a-(3-methoxyphenyl)-1,1-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-ium hydroxide Traditional Name: 3a-(3-methoxyphenyl)-1,1-dimethyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-ium hydroxide Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2(C1CCCC2)C3=CC(=CC=C3)OC)C.[OH-]

Isomeric SMILES

C[N+]1(CCC2(C1CCCC2)C3=CC(=CC=C3)OC)C.[OH-]

InChI

InChI=1S/C17H26NO.H2O/c1-18(2)12-11-17(10-5-4-9-16(17)18)14-7-6-8-15(13-14)19-3;/h6-8,13,16H,4-5,9-12H2,1-3H3;1H2/q+1;/p-1