2-(4-ethylpiperazin-1-ium-1-yl)-N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-1,3-dihydroindene-2-carboxamide

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-1,3-dihydroindene-2-carboxamide Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]indane-2-carboxamide CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dihydroindene-2-carboxamide IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dihydroindene-2-carboxamide Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(1S)-2-methyl-1-methylol-propyl]indane-2-carboxamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NC(CO)C(C)C

Isomeric SMILES

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)N[C@H](CO)C(C)C

InChI

InChI=1S/C21H33N3O2/c1-4-23-9-11-24(12-10-23)21(20(26)22-19(15-25)16(2)3)13-17-7-5-6-8-18(17)14-21/h5-8,16,19,25H,4,9-15H2,1-3H3,(H,22,26)/p+1/t19-/m1/s1