1-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]-1-ethyl-2-methyl-indol-3-yl]ethanone hydrochloride

Systemtic Name: 1-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]-1-ethyl-2-methyl-indol-3-yl]ethanone hydrochloride Openeye Name: 1-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]-1-ethyl-2-methyl-indol-3-yl]ethanone hydrochloride CAS Name: 1-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]-1-ethyl-2-methyl-3-indolyl]ethanone hydrochloride IUPAC Name: 1-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]-1-ethyl-2-methylindol-3-yl]ethanone hydrochloride Traditional Name: 1-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]-1-ethyl-2-methyl-indol-3-yl]ethanone hydrochloride Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OCC(CN3CCC4=CC=CC=C4C3)O)C(=O)C)C.Cl

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OCC(CN3CCC4=CC=CC=C4C3)O)C(=O)C)C.Cl

InChI

InChI=1S/C25H30N2O3.ClH/c1-4-27-17(2)25(18(3)28)23-13-22(9-10-24(23)27)30-16-21(29)15-26-12-11-19-7-5-6-8-20(19)14-26;/h5-10,13,21,29H,4,11-12,14-16H2,1-3H3;1H