1-[5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C16H19N3O2S/c1-12(20)14-8-15(17-9-14)16(21)19-5-3-18(4-6-19)10-13-2-7-22-11-13/h2,7-9,11,17H,3-6,10H2,1H3/p+1