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

Systemtic Name: 1-(azepan-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Formula: C14H27N2O+ MolecularWeight: 239.37698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N2CCCCCC2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)N2CCCCCC2

InChI

InChI=1S/C14H26N2O/c1-13-7-6-8-15(11-13)12-14(17)16-9-4-2-3-5-10-16/h13H,2-12H2,1H3/p+1/t13-/m0/s1