(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-cyclopropyl-azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-cyclopropyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-cyclopropyl-ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopropylammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopropylazanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-cyclopropyl-ammonium Formula: C18H21BrNO2+ MolecularWeight: 363.26884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20BrNO2/c1-21-17-10-14(11-20-15-7-8-15)9-16(19)18(17)22-12-13-5-3-2-4-6-13/h2-6,9-10,15,20H,7-8,11-12H2,1H3/p+1