2-[7-bromanyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-methyl-indol-3-yl]ethyl-trimethyl-azanium

Systemtic Name: 2-[7-bromanyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-methyl-indol-3-yl]ethyl-trimethyl-azanium Openeye Name: 2-[7-bromo-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-methyl-indol-3-yl]ethyl-trimethyl-ammonium CAS Name: 2-[7-bromo-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-methyl-3-indolyl]ethyl-trimethylammonium IUPAC Name: 2-[7-bromo-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-methylindol-3-yl]ethyl-trimethylazanium Traditional Name: 2-[7-bromo-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-methyl-indol-3-yl]ethyl-trimethyl-ammonium Formula: C25H38BrN2O+ MolecularWeight: 462.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1=C(C2=C(C=CC(=C2N1C)Br)OC)CC[N+](C)(C)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC1=C(C2=C(C=CC(=C2N1C)Br)OC)CC[N+](C)(C)C)/C)C

InChI

InChI=1S/C25H38BrN2O/c1-18(2)10-9-11-19(3)12-14-22-20(16-17-28(5,6)7)24-23(29-8)15-13-21(26)25(24)27(22)4/h10,12-13,15H,9,11,14,16-17H2,1-8H3/q+1/b19-12+