(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC=C

InChI

InChI=1S/C21H23BrN2O2/c1-3-10-26-21-18(22)11-15(12-20(21)25-2)13-23-9-8-16-14-24-19-7-5-4-6-17(16)19/h3-7,11-12,14,23-24H,1,8-10,13H2,2H3/p+1