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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-ethyl-ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-ethylazanium Traditional Name: benzyl-(3-bromo-4-hydroxy-5-methoxy-benzyl)-ethyl-ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

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