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

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(2S)-2-methylbutyl]-1,3-dihydroindene-2-carboxamide Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(2S)-2-methylbutyl]indane-2-carboxamide CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-N-[(2S)-2-methylbutyl]-1,3-dihydroindene-2-carboxamide IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(2S)-2-methylbutyl]-1,3-dihydroindene-2-carboxamide Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(2S)-2-methylbutyl]indane-2-carboxamide Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1(CC2=CC=CC=C2C1)[NH+]3CCN(CC3)CC

Isomeric SMILES

CC[C@H](C)CNC(=O)C1(CC2=CC=CC=C2C1)[NH+]3CCN(CC3)CC

InChI

InChI=1S/C21H33N3O/c1-4-17(3)16-22-20(25)21(24-12-10-23(5-2)11-13-24)14-18-8-6-7-9-19(18)15-21/h6-9,17H,4-5,10-16H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1