3-[3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]-3-methyl-butyl]phenol dihydrochloride

Systemtic Name: 3-[3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]-3-methyl-butyl]phenol dihydrochloride Openeye Name: 3-[3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]-3-methyl-butyl]phenol dihydrochloride CAS Name: 3-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-3-methylbutyl]phenol dihydrochloride IUPAC Name: 3-[3-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]-3-methylbutyl]phenol dihydrochloride Traditional Name: 3-[3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]-3-methyl-butyl]phenol dihydrochloride Formula: C18H27Cl2N3O2 MolecularWeight: 388.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC(=CC=C1)O)NCC(C2=CN=C(C=C2)N)O.Cl.Cl

Isomeric SMILES

CC(C)(CCC1=CC(=CC=C1)O)NCC(C2=CN=C(C=C2)N)O.Cl.Cl

InChI

InChI=1S/C18H25N3O2.2ClH/c1-18(2,9-8-13-4-3-5-15(22)10-13)21-12-16(23)14-6-7-17(19)20-11-14;;/h3-7,10-11,16,21-23H,8-9,12H2,1-2H3,(H2,19,20);2*1H