1-[(2S)-2-methylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C16H26N3O3S2+ MolecularWeight: 372.52594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H25N3O3S2/c1-14-5-2-3-7-19(14)15(20)13-17-8-10-18(11-9-17)24(21,22)16-6-4-12-23-16/h4,6,12,14H,2-3,5,7-11,13H2,1H3/p+1/t14-/m0/s1