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

Systemtic Name: 2-bromanyl-6-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[[(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(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

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