N-but-2-ynyl-2-(4-ethylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide

Systemtic Name: N-but-2-ynyl-2-(4-ethylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide Openeye Name: N-but-2-ynyl-2-(4-ethylpiperazin-1-ium-1-yl)-N-(2-furylmethyl)indane-2-carboxamide CAS Name: N-but-2-ynyl-2-(4-ethyl-1-piperazin-1-iumyl)-N-(2-furanylmethyl)-1,3-dihydroindene-2-carboxamide IUPAC Name: N-but-2-ynyl-2-(4-ethylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide Traditional Name: N-but-2-ynyl-2-(4-ethylpiperazin-1-ium-1-yl)-N-(2-furfuryl)indane-2-carboxamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)N(CC#CC)CC4=CC=CO4

Isomeric SMILES

CCN1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)N(CC#CC)CC4=CC=CO4

InChI

InChI=1S/C25H31N3O2/c1-3-5-12-27(20-23-11-8-17-30-23)24(29)25(28-15-13-26(4-2)14-16-28)18-21-9-6-7-10-22(21)19-25/h6-11,17H,4,12-16,18-20H2,1-2H3/p+1