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

Systemtic Name: (2S)-1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]propan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]propan-1-one Formula: C16H32N3O+ MolecularWeight: 282.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN[C@@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C16H31N3O/c1-3-18-12-8-9-15(18)13-17-14(2)16(20)19-10-6-4-5-7-11-19/h14-15,17H,3-13H2,1-2H3/p+1/t14-,15-/m0/s1