4b-(2-azanylethyl)-3-pyridin-2-yloxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol hydrochloride

Systemtic Name: 4b-(2-azanylethyl)-3-pyridin-2-yloxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol hydrochloride Openeye Name: 4b-(2-aminoethyl)-3-(2-pyridyloxy)-5,6,7,8,9,10-hexahydrophenanthren-8a-ol hydrochloride CAS Name: 4b-(2-aminoethyl)-3-(2-pyridinyloxy)-5,6,7,8,9,10-hexahydrophenanthren-8a-ol hydrochloride IUPAC Name: 4b-(2-aminoethyl)-3-pyridin-2-yloxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol hydrochloride Traditional Name: 4b-(2-aminoethyl)-3-(2-pyridyloxy)-5,6,7,8,9,10-hexahydrophenanthren-8a-ol hydrochloride Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C3=C(CCC2(C1)O)C=CC(=C3)OC4=CC=CC=N4)CCN.Cl

Isomeric SMILES

C1CCC2(C3=C(CCC2(C1)O)C=CC(=C3)OC4=CC=CC=N4)CCN.Cl

InChI

InChI=1S/C21H26N2O2.ClH/c22-13-12-20-9-2-3-10-21(20,24)11-8-16-6-7-17(15-18(16)20)25-19-5-1-4-14-23-19;/h1,4-7,14-15,24H,2-3,8-13,22H2;1H