(3-bromanyl-4,5-diethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-homoveratryl-ammonium Formula: C21H29BrNO4+ MolecularWeight: 439.36326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)Br)OCC

InChI

InChI=1S/C21H28BrNO4/c1-5-26-20-13-16(11-17(22)21(20)27-6-2)14-23-10-9-15-7-8-18(24-3)19(12-15)25-4/h7-8,11-13,23H,5-6,9-10,14H2,1-4H3/p+1