1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H25N3O3S/c24-20(16-21-9-3-4-10-21)22-11-13-23(14-12-22)27(25,26)19-8-7-17-5-1-2-6-18(17)15-19/h1-2,5-8,15H,3-4,9-14,16H2/p+1