[(2S)-butan-2-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-methylpropyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCC[NH+]1CCCCC1C

Isomeric SMILES

CC[C@H](C)[NH2+]CCC[NH+]1CCCC[C@@H]1C

InChI

InChI=1S/C13H28N2/c1-4-12(2)14-9-7-11-15-10-6-5-8-13(15)3/h12-14H,4-11H2,1-3H3/p+2/t12-,13-/m0/s1