2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4CC3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4CC3

InChI

InChI=1S/C20H27N3O3S/c24-20(22-9-3-4-10-22)16-21-11-13-23(14-12-21)27(25,26)19-8-7-17-5-1-2-6-18(17)15-19/h1-2,5-6,15H,3-4,7-14,16H2/p+1