(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[2-(cyclohexen-1-yl)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[2-(cyclohexen-1-yl)ethyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[2-(cyclohexen-1-yl)ethyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[2-(1-cyclohexenyl)ethyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[2-(cyclohexen-1-yl)ethyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[2-(cyclohexen-1-yl)ethyl]ammonium Formula: C16H23BrNO2+ MolecularWeight: 341.26332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CCCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CCCCC2)Br)O

InChI

InChI=1S/C16H22BrNO2/c1-20-15-10-13(9-14(17)16(15)19)11-18-8-7-12-5-3-2-4-6-12/h5,9-10,18-19H,2-4,6-8,11H2,1H3/p+1