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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-ethyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-ethyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-ethylammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-ethylazanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-ethyl-ammonium Formula: C18H23BrNO2+ MolecularWeight: 365.28472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO2/c1-3-20-12-15-10-16(19)18(17(11-15)21-4-2)22-13-14-8-6-5-7-9-14/h5-11,20H,3-4,12-13H2,1-2H3/p+1