(1-ethylpiperidin-1-ium-4-yl)-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: (1-ethyl-4-piperidin-1-iumyl)-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C13H27N3O+2 MolecularWeight: 241.37298

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]C2CCCCNC2=O

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+][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+2/t12-/m0/s1