2-[(3S)-5-methoxy-3-methyl-2-oxidanyl-1-(phenylmethyl)-2H-indol-3-yl]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[(3S)-5-methoxy-3-methyl-2-oxidanyl-1-(phenylmethyl)-2H-indol-3-yl]ethyl-trimethyl-azanium iodide Openeye Name: 2-[(3S)-1-benzyl-2-hydroxy-5-methoxy-3-methyl-indolin-3-yl]ethyl-trimethyl-ammonium iodide CAS Name: 2-[(3S)-2-hydroxy-5-methoxy-3-methyl-1-(phenylmethyl)-2H-indol-3-yl]ethyl-trimethylammonium iodide IUPAC Name: 2-[(3S)-1-benzyl-2-hydroxy-5-methoxy-3-methyl-2H-indol-3-yl]ethyl-trimethylazanium iodide Traditional Name: 2-[(3S)-1-benzyl-2-hydroxy-5-methoxy-3-methyl-indolin-3-yl]ethyl-trimethyl-ammonium iodide Formula: C22H31IN2O2 MolecularWeight: 482.39821

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)O)CC[N+](C)(C)C.[I-]

Isomeric SMILES

C[C@]1(C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)O)CC[N+](C)(C)C.[I-]

InChI

InChI=1S/C22H31N2O2.HI/c1-22(13-14-24(2,3)4)19-15-18(26-5)11-12-20(19)23(21(22)25)16-17-9-7-6-8-10-17;/h6-12,15,21,25H,13-14,16H2,1-5H3;1H/q+1;/p-1/t21?,22-;/m0./s1