(2S)-N-cyclopropyl-2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H33N4O3S+ MolecularWeight: 373.53392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CC3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3CC3)C

InChI

InChI=1S/C17H32N4O3S/c1-13-10-14(2)12-21(11-13)25(23,24)20-8-6-19(7-9-20)15(3)17(22)18-16-4-5-16/h13-16H,4-12H2,1-3H3,(H,18,22)/p+1/t13-,14-,15-/m0/s1