(3-bromanyl-4,5-diethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC

InChI

InChI=1S/C21H25BrN2O2/c1-3-25-20-12-15(11-18(22)21(20)26-4-2)13-23-10-9-16-14-24-19-8-6-5-7-17(16)19/h5-8,11-12,14,23-24H,3-4,9-10,13H2,1-2H3/p+1