(4-methylpiperazin-4-ium-1-yl)-[(2S)-1-(phenylsulfonyl)piperidin-2-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[(2S)-1-(phenylsulfonyl)piperidin-2-yl]methanone Openeye Name: [(2S)-1-(benzenesulfonyl)-2-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(2S)-1-(benzenesulfonyl)-2-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(2S)-1-besyl-2-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H25N3O3S/c1-18-11-13-19(14-12-18)17(21)16-9-5-6-10-20(16)24(22,23)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/p+1/t16-/m0/s1