[(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-(2-hydroxyethyl)-methyl-azanium

Systemtic Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-(2-hydroxyethyl)-methyl-azanium Openeye Name: [(1S)-1-(4-azaniumylpiperidine-1-carbonyl)-2-methyl-propyl]-(2-hydroxyethyl)-methyl-ammonium CAS Name: [(2S)-1-(4-ammonio-1-piperidinyl)-3-methyl-1-oxobutan-2-yl]-(2-hydroxyethyl)-methylammonium IUPAC Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-(2-hydroxyethyl)-methylazanium Traditional Name: [(1S)-1-(4-ammoniopiperidine-1-carbonyl)-2-methyl-propyl]-(2-hydroxyethyl)-methyl-ammonium Formula: C13H29N3O2+2 MolecularWeight: 259.38826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)[NH3+])[NH+](C)CCO

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+](C)CCO

InChI

InChI=1S/C13H27N3O2/c1-10(2)12(15(3)8-9-17)13(18)16-6-4-11(14)5-7-16/h10-12,17H,4-9,14H2,1-3H3/p+2/t12-/m0/s1