hydron; 4-[3-[(3-methyl-2-oxidanyl-phenyl)methyl]pyrrolidin-1-yl]benzene-1,2-diol; bromide

Systemtic Name: hydron; 4-[3-[(3-methyl-2-oxidanyl-phenyl)methyl]pyrrolidin-1-yl]benzene-1,2-diol; bromide Openeye Name: hydron; 4-[3-[(2-hydroxy-3-methyl-phenyl)methyl]pyrrolidin-1-yl]benzene-1,2-diol; bromide CAS Name: hydron; 4-[3-[(2-hydroxy-3-methylphenyl)methyl]-1-pyrrolidinyl]benzene-1,2-diol; bromide IUPAC Name: hydron; 4-[3-[(2-hydroxy-3-methylphenyl)methyl]pyrrolidin-1-yl]benzene-1,2-diol; bromide Traditional Name: hydron; 4-[3-(2-hydroxy-3-methyl-benzyl)pyrrolidino]pyrocatechol; bromide Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=C(C(=CC=C1)CC2CCN(C2)C3=CC(=C(C=C3)O)O)O.[Br-]

Isomeric SMILES

[H+].CC1=C(C(=CC=C1)CC2CCN(C2)C3=CC(=C(C=C3)O)O)O.[Br-]

InChI

InChI=1S/C18H21NO3.BrH/c1-12-3-2-4-14(18(12)22)9-13-7-8-19(11-13)15-5-6-16(20)17(21)10-15;/h2-6,10,13,20-22H,7-9,11H2,1H3;1H