(3S)-3-[(1-methylpiperidin-1-ium-4-yl)amino]azepan-2-one

Systemtic Name: (3S)-3-[(1-methylpiperidin-1-ium-4-yl)amino]azepan-2-one Openeye Name: (3S)-3-[(1-methylpiperidin-1-ium-4-yl)amino]azepan-2-one CAS Name: (3S)-3-[(1-methyl-4-piperidin-1-iumyl)amino]-2-azepanone IUPAC Name: (3S)-3-[(1-methylpiperidin-1-ium-4-yl)amino]azepan-2-one Traditional Name: (3S)-3-[(1-methylpiperidin-1-ium-4-yl)amino]azepan-2-one Formula: C12H24N3O+ MolecularWeight: 226.33846

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC2CCCCNC2=O

Isomeric SMILES

C[NH+]1CCC(CC1)N[C@H]2CCCCNC2=O

InChI

InChI=1S/C12H23N3O/c1-15-8-5-10(6-9-15)14-11-4-2-3-7-13-12(11)16/h10-11,14H,2-9H2,1H3,(H,13,16)/p+1/t11-/m0/s1