(3R)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]azepan-2-one

Systemtic Name: (3R)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]azepan-2-one Openeye Name: (3R)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]azepan-2-one CAS Name: (3R)-3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-2-azepanone IUPAC Name: (3R)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]azepan-2-one Traditional Name: (3R)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]azepan-2-one Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2CCCCNC2=O

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN[C@@H]2CCCCNC2=O

InChI

InChI=1S/C13H25N3O/c1-2-16-9-5-6-11(16)10-15-12-7-3-4-8-14-13(12)17/h11-12,15H,2-10H2,1H3,(H,14,17)/p+1/t11-,12+/m0/s1