1-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(4-tetralin-6-ylsulfonylpiperazino)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H32N4O4S/c23-22(28)18-7-9-24(10-8-18)16-21(27)25-11-13-26(14-12-25)31(29,30)20-6-5-17-3-1-2-4-19(17)15-20/h5-6,15,18H,1-4,7-14,16H2,(H2,23,28)/p+1