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

Systemtic Name: (3R)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]azepan-2-one Openeye Name: (3R)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]azepan-2-one CAS Name: (3R)-3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-2-azepanone IUPAC Name: (3R)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]azepan-2-one Traditional Name: (3R)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]azepan-2-one Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2CCCCNC2=O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCN[C@@H]2CCCCNC2=O

InChI

InChI=1S/C15H29N3O/c1-13-7-3-5-11-18(13)12-6-10-16-14-8-2-4-9-17-15(14)19/h13-14,16H,2-12H2,1H3,(H,17,19)/p+1/t13-,14+/m0/s1