4-bromanyl-2-methoxy-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-methoxy-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-methoxy-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-methoxy-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-methoxy-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-methoxy-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol Formula: C14H21BrNO2+ MolecularWeight: 315.22604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=CC(=C2O)OC)Br

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=CC(=C2O)OC)Br

InChI

InChI=1S/C14H20BrNO2/c1-10-4-3-5-16(8-10)9-11-6-12(15)7-13(18-2)14(11)17/h6-7,10,17H,3-5,8-9H2,1-2H3/p+1/t10-/m0/s1