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

Systemtic Name: (3S)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]azepan-2-one Openeye Name: (3S)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]azepan-2-one CAS Name: (3S)-3-[(1-ethyl-4-piperidin-1-iumyl)amino]-2-azepanone IUPAC Name: (3S)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]azepan-2-one Traditional Name: (3S)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]azepan-2-one Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O/c1-2-16-9-6-11(7-10-16)15-12-5-3-4-8-14-13(12)17/h11-12,15H,2-10H2,1H3,(H,14,17)/p+1/t12-/m0/s1