methyl-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-methyl-ammonium Formula: C9H22N2O+2 MolecularWeight: 174.28378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(C[NH+]1CCCCC1)O

Isomeric SMILES

C[NH2+]C[C@@H](C[NH+]1CCCCC1)O

InChI

InChI=1S/C9H20N2O/c1-10-7-9(12)8-11-5-3-2-4-6-11/h9-10,12H,2-8H2,1H3/p+2/t9-/m0/s1