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

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-cycloheptyl-azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-cycloheptyl-ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-cycloheptylammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-cycloheptylazanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-cycloheptyl-ammonium Formula: C18H27BrNO2+ MolecularWeight: 369.31648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC=C

InChI

InChI=1S/C18H26BrNO2/c1-3-10-22-18-16(19)11-14(12-17(18)21-2)13-20-15-8-6-4-5-7-9-15/h3,11-12,15,20H,1,4-10,13H2,2H3/p+1