(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cycloheptyl-azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cycloheptyl-azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-cycloheptyl-ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cycloheptylammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cycloheptylazanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-cycloheptyl-ammonium Formula: C22H29BrNO2+ MolecularWeight: 419.37516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28BrNO2/c1-25-21-14-19(23)13-18(15-24-20-11-7-2-3-8-12-20)22(21)26-16-17-9-5-4-6-10-17/h4-6,9-10,13-14,20,24H,2-3,7-8,11-12,15-16H2,1H3/p+1