[(2S)-butan-2-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: 3-(4-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+]1CCC(CC1)C

Isomeric SMILES

CC[C@H](C)[NH2+]CCC[NH+]1CCC(CC1)C

InChI

InChI=1S/C13H28N2/c1-4-13(3)14-8-5-9-15-10-6-12(2)7-11-15/h12-14H,4-11H2,1-3H3/p+2/t13-/m0/s1