2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-5-6-19-7-9-20(10-8-19)29(27,28)25-13-11-24(12-14-25)16-22(26)21-15-17(2)23(4)18(21)3/h7-10,15H,5-6,11-14,16H2,1-4H3/p+1