2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-4-bromanyl-6-methoxy-phenol

Systemtic Name: 2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-4-bromanyl-6-methoxy-phenol Openeye Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-bromo-6-methoxy-phenol CAS Name: 2-[(4-amino-1-piperidin-1-iumyl)methyl]-4-bromo-6-methoxyphenol IUPAC Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-bromo-6-methoxyphenol Traditional Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-bromo-6-methoxy-phenol Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH+]2CCC(CC2)N)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH+]2CCC(CC2)N)O

InChI

InChI=1S/C13H19BrN2O2/c1-18-12-7-10(14)6-9(13(12)17)8-16-4-2-11(15)3-5-16/h6-7,11,17H,2-5,8,15H2,1H3/p+1