1-[1-ethyl-2-methyl-5-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]indol-3-yl]ethanone hydrochloride

Systemtic Name: 1-[1-ethyl-2-methyl-5-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]indol-3-yl]ethanone hydrochloride Openeye Name: 1-[1-ethyl-5-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-2-methyl-indol-3-yl]ethanone hydrochloride CAS Name: 1-[1-ethyl-5-[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-2-methyl-3-indolyl]ethanone hydrochloride IUPAC Name: 1-[1-ethyl-5-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-2-methylindol-3-yl]ethanone hydrochloride Traditional Name: 1-[1-ethyl-5-[2-hydroxy-3-(4-methylpiperazino)propoxy]-2-methyl-indol-3-yl]ethanone hydrochloride Formula: C21H32ClN3O3 MolecularWeight: 409.95008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OCC(CN3CCN(CC3)C)O)C(=O)C)C.Cl

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OCC(CN3CCN(CC3)C)O)C(=O)C)C.Cl

InChI

InChI=1S/C21H31N3O3.ClH/c1-5-24-15(2)21(16(3)25)19-12-18(6-7-20(19)24)27-14-17(26)13-23-10-8-22(4)9-11-23;/h6-7,12,17,26H,5,8-11,13-14H2,1-4H3;1H