(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-benzyl-ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-benzyl-ammonium Formula: C18H21BrNO2+ MolecularWeight: 363.26884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO2/c1-3-9-22-18-16(19)10-15(11-17(18)21-2)13-20-12-14-7-5-4-6-8-14/h3-8,10-11,20H,1,9,12-13H2,2H3/p+1