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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H34N2/c1-4-5-6-10-15(2)17-12-9-14-18-13-8-7-11-16(18)3/h15-17H,4-14H2,1-3H3/p+2/t15-,16-/m0/s1