(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-cyclopentyl-azanium

Systemtic Name: (2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-cyclopentyl-azanium Openeye Name: (4-benzyloxy-2-bromo-5-methoxy-phenyl)methyl-cyclopentyl-ammonium CAS Name: (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylammonium IUPAC Name: (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium Traditional Name: (4-benzoxy-2-bromo-5-methoxy-benzyl)-cyclopentyl-ammonium Formula: C20H25BrNO2+ MolecularWeight: 391.322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24BrNO2/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3/p+1