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

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(2S)-octan-2-yl]azanium Openeye Name: [(1S)-1-methylheptyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(2S)-octan-2-yl]azanium Traditional Name: [(1S)-1-methylheptyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C17H38N2+2 MolecularWeight: 270.49702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H36N2/c1-4-5-6-7-9-17(3)18-12-8-13-19-14-10-16(2)11-15-19/h16-18H,4-15H2,1-3H3/p+2/t17-/m0/s1