[(2S,3S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-butyl]ammonium Formula: C13H27N2O+ MolecularWeight: 227.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC(CC(C1)C)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1C[C@@H](C[C@@H](C1)C)C)[NH3+]

InChI

InChI=1S/C13H26N2O/c1-5-11(4)12(14)13(16)15-7-9(2)6-10(3)8-15/h9-12H,5-8,14H2,1-4H3/p+1/t9-,10+,11-,12-/m0/s1