2-bromanyl-6-methoxy-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]phenol Formula: C14H22BrN2O2+ MolecularWeight: 330.24068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC[NH+]2CCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC[NH+]2CCCC2)Br)O

InChI

InChI=1S/C14H21BrN2O2/c1-19-13-9-11(8-12(15)14(13)18)10-16-4-7-17-5-2-3-6-17/h8-9,16,18H,2-7,10H2,1H3/p+1