1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C19H28N3O3S2+ MolecularWeight: 410.57392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H27N3O3S2/c1-4-7-22-15(2)13-17(16(22)3)18(23)14-20-8-10-21(11-9-20)27(24,25)19-6-5-12-26-19/h5-6,12-13H,4,7-11,14H2,1-3H3/p+1