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

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C14H32N2+2 MolecularWeight: 228.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CCC[NH+]1CCC(CC1)C

Isomeric SMILES

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

InChI

InChI=1S/C14H30N2/c1-4-6-14(3)15-9-5-10-16-11-7-13(2)8-12-16/h13-15H,4-12H2,1-3H3/p+2/t14-/m0/s1