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

Systemtic Name: [(2S)-heptan-2-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-methylhexyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C16H36N2+2 MolecularWeight: 256.47044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H34N2/c1-4-5-6-8-16(3)17-11-7-12-18-13-9-15(2)10-14-18/h15-17H,4-14H2,1-3H3/p+2/t16-/m0/s1