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

Systemtic Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: [(1S,2S)-1,2-dimethylbutyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: [(1S,2S)-1,2-dimethylbutyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C15H34N2+2 MolecularWeight: 242.44386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H32N2/c1-5-14(3)15(4)16-9-6-10-17-11-7-13(2)8-12-17/h13-16H,5-12H2,1-4H3/p+2/t14-,15-/m0/s1