(2S)-1-(azepan-1-yl)-2-[(3S)-piperidin-1-ium-3-yl]oxy-propan-1-one

Systemtic Name: (2S)-1-(azepan-1-yl)-2-[(3S)-piperidin-1-ium-3-yl]oxy-propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-[(3S)-piperidin-1-ium-3-yl]oxy-propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-[[(3S)-3-piperidin-1-iumyl]oxy]-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-[(3S)-piperidin-1-ium-3-yl]oxypropan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-[(3S)-piperidin-1-ium-3-yl]oxy-propan-1-one Formula: C14H27N2O2+ MolecularWeight: 255.37638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2CCC[NH2+]C2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)O[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H26N2O2/c1-12(18-13-7-6-8-15-11-13)14(17)16-9-4-2-3-5-10-16/h12-13,15H,2-11H2,1H3/p+1/t12-,13-/m0/s1