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

Systemtic Name: 4-bromanyl-2-methoxy-6-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-methoxy-6-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-methoxy-6-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-methoxy-6-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-methoxy-6-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C18H22BrN2O2+ MolecularWeight: 378.28348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH+]2CCCCC2C3=CN=CC=C3)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH+]2CCCC[C@H]2C3=CN=CC=C3)O

InChI

InChI=1S/C18H21BrN2O2/c1-23-17-10-15(19)9-14(18(17)22)12-21-8-3-2-6-16(21)13-5-4-7-20-11-13/h4-5,7,9-11,16,22H,2-3,6,8,12H2,1H3/p+1/t16-/m0/s1