2-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)N4C=CC=C4)C

InChI

InChI=1S/C21H28N4O2S/c1-16-17(2)28-21(25-9-5-6-10-25)19(16)20(27)24-13-11-22(12-14-24)15-18(26)23-7-3-4-8-23/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3/p+1