(2S)-1-methyl-2-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]azepan-1-ium

Systemtic Name: (2S)-1-methyl-2-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]azepan-1-ium Openeye Name: (2S)-1-methyl-2-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]azepan-1-ium CAS Name: (2S)-1-methyl-2-[[(3S)-3-propoxy-1-piperidin-1-iumyl]methyl]azepan-1-ium IUPAC Name: (2S)-1-methyl-2-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]azepan-1-ium Traditional Name: (2S)-1-methyl-2-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]azepan-1-ium Formula: C16H34N2O+2 MolecularWeight: 270.45396

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC[NH+](C1)CC2CCCCC[NH+]2C

Isomeric SMILES

CCCO[C@H]1CCC[NH+](C1)C[C@@H]2CCCCC[NH+]2C

InChI

InChI=1S/C16H32N2O/c1-3-12-19-16-9-7-11-18(14-16)13-15-8-5-4-6-10-17(15)2/h15-16H,3-14H2,1-2H3/p+2/t15-,16-/m0/s1