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

Systemtic Name: 1-[1-ethyl-2-methyl-5-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]indol-3-yl]ethanone Openeye Name: 1-[1-ethyl-5-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methyl-indol-3-yl]ethanone CAS Name: 1-[1-ethyl-5-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-2-methyl-3-indolyl]ethanone IUPAC Name: 1-[1-ethyl-5-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methylindol-3-yl]ethanone Traditional Name: 1-[1-ethyl-5-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methyl-indol-3-yl]ethanone Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OCC(CN3CC[NH+](CC3)C)O)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OC[C@@H](CN3CC[NH+](CC3)C)O)C(=O)C)C

InChI

InChI=1S/C21H31N3O3/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/p+1/t17-/m1/s1