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

Systemtic Name: (3S)-3-[(1-propylpiperidin-1-ium-4-yl)amino]azepan-2-one Openeye Name: (3S)-3-[(1-propylpiperidin-1-ium-4-yl)amino]azepan-2-one CAS Name: (3S)-3-[(1-propyl-4-piperidin-1-iumyl)amino]-2-azepanone IUPAC Name: (3S)-3-[(1-propylpiperidin-1-ium-4-yl)amino]azepan-2-one Traditional Name: (3S)-3-[(1-propylpiperidin-1-ium-4-yl)amino]azepan-2-one Formula: C14H28N3O+ MolecularWeight: 254.39162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O/c1-2-9-17-10-6-12(7-11-17)16-13-5-3-4-8-15-14(13)18/h12-13,16H,2-11H2,1H3,(H,15,18)/p+1/t13-/m0/s1