1-(azepan-1-yl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethanone CAS Name: 1-(1-azepanyl)-2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethanone Formula: C17H34N3O+ MolecularWeight: 296.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNCC(=O)N2CCCCCC2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H33N3O/c1-16-9-4-7-11-19(16)14-8-10-18-15-17(21)20-12-5-2-3-6-13-20/h16,18H,2-15H2,1H3/p+1/t16-/m0/s1