2-[4-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: N,N-diethyl-2-[4-(1-indan-5-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: N,N-diethyl-2-[4-(1-indan-5-ylsulfonylisonipecotoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H39N4O4S+ MolecularWeight: 491.66656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C25H38N4O4S/c1-3-27(4-2)24(30)19-26-14-16-28(17-15-26)25(31)21-10-12-29(13-11-21)34(32,33)23-9-8-20-6-5-7-22(20)18-23/h8-9,18,21H,3-7,10-17,19H2,1-2H3/p+1