N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-indan-5-yl-4-oxo-butanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-indan-5-yl-4-keto-butanoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C23H33N3O3/c1-2-3-11-24-22(28)17-25-12-14-26(15-13-25)23(29)10-9-21(27)20-8-7-18-5-4-6-19(18)16-20/h7-8,16H,2-6,9-15,17H2,1H3,(H,24,28)/p+1