[(2S)-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-mesyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]propyl]ammonium Formula: C14H31N3O3S+2 MolecularWeight: 321.47924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C14H29N3O3S/c1-12-6-3-4-9-17(12)10-5-8-16-14(18)13(15)7-11-21(2,19)20/h12-13H,3-11,15H2,1-2H3,(H,16,18)/p+2/t12-,13-/m0/s1