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

Systemtic Name: 1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]ethanone CAS Name: 1-(1-azepanyl)-2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]ethanone Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O/c1-2-17-11-7-8-14(17)12-16-13-15(19)18-9-5-3-4-6-10-18/h14,16H,2-13H2,1H3/p+1/t14-/m0/s1