1-piperidin-1-yl-2-[4-(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-(3-piperidinosulfonylthiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C21H33N4O4S2+ MolecularWeight: 469.64112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H32N4O4S2/c26-19(23-8-3-1-4-9-23)17-22-12-14-24(15-13-22)21(27)20-18(7-16-30-20)31(28,29)25-10-5-2-6-11-25/h7,16H,1-6,8-15,17H2/p+1