2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H26N4O2S/c1-21-8-2-5-16(21)17-6-3-9-24(17)15-19(25)22-10-12-23(13-11-22)20(26)18-7-4-14-27-18/h2,4-5,7-8,14,17H,3,6,9-13,15H2,1H3/p+1/t17-/m1/s1