(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C20H25BrNO3+ MolecularWeight: 407.3214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Br)OCC=C)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Br)OCC=C)OC

InChI

InChI=1S/C20H24BrNO3/c1-4-11-25-20-18(21)12-16(13-19(20)24-3)14-22-10-9-15-5-7-17(23-2)8-6-15/h4-8,12-13,22H,1,9-11,14H2,2-3H3/p+1