2-(3-azanylpropyl)-7-(2-imidazol-1-ylethyl)-2,6-dimethyl-4-propan-2-yl-3H-1-benzofuran-5-ol dihydrochloride

Systemtic Name: 2-(3-azanylpropyl)-7-(2-imidazol-1-ylethyl)-2,6-dimethyl-4-propan-2-yl-3H-1-benzofuran-5-ol dihydrochloride Openeye Name: 2-(3-aminopropyl)-7-(2-imidazol-1-ylethyl)-4-isopropyl-2,6-dimethyl-3H-benzofuran-5-ol dihydrochloride CAS Name: 2-(3-aminopropyl)-7-[2-(1-imidazolyl)ethyl]-2,6-dimethyl-4-propan-2-yl-3H-benzofuran-5-ol dihydrochloride IUPAC Name: 2-(3-aminopropyl)-7-(2-imidazol-1-ylethyl)-2,6-dimethyl-4-propan-2-yl-3H-1-benzofuran-5-ol dihydrochloride Traditional Name: 2-(3-aminopropyl)-7-(2-imidazol-1-ylethyl)-4-isopropyl-2,6-dimethyl-coumaran-5-ol dihydrochloride Formula: C21H33Cl2N3O2 MolecularWeight: 430.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1CCN3C=CN=C3)(C)CCCN)C(C)C)O.Cl.Cl

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1CCN3C=CN=C3)(C)CCCN)C(C)C)O.Cl.Cl

InChI

InChI=1S/C21H31N3O2.2ClH/c1-14(2)18-17-12-21(4,7-5-8-22)26-20(17)16(15(3)19(18)25)6-10-24-11-9-23-13-24;;/h9,11,13-14,25H,5-8,10,12,22H2,1-4H3;2*1H