2-pyrrolidin-1-ium-1-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-pyrrolidin-1-ium-1-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-pyrrolidin-1-ium-1-yl-1-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(1-pyrrolidin-1-iumyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-pyrrolidin-1-ium-1-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-pyrrolidin-1-ium-1-yl-1-(4-tetralin-6-ylsulfonylpiperazino)ethanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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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+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C20H29N3O3S/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/h7-8,15H,1-6,9-14,16H2/p+1