1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)piperidin-1-ium-4-ol Formula: C14H21BrNO3+ MolecularWeight: 331.22544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO3/c1-18-13-7-10(12(15)8-14(13)19-2)9-16-5-3-11(17)4-6-16/h7-8,11,17H,3-6,9H2,1-2H3/p+1