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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-ethyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-ethyl-ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-ethylammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-ethylazanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-ethyl-ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H20BrNO2/c1-3-19-11-14-9-15(18)17(16(10-14)20-2)21-12-13-7-5-4-6-8-13/h4-10,19H,3,11-12H2,1-2H3/p+1