[(3R)-1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-[2-(azepan-1-yl)-2-oxo-ethyl]piperidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-1-[2-(1-azepanyl)-2-oxoethyl]-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-[2-(azepan-1-yl)-2-keto-ethyl]piperidin-1-ium-3-yl]methylammonium Formula: C14H29N3O+2 MolecularWeight: 255.39956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCCC(C2)C[NH3+]

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCC[C@@H](C2)C[NH3+]

InChI

InChI=1S/C14H27N3O/c15-10-13-6-5-7-16(11-13)12-14(18)17-8-3-1-2-4-9-17/h13H,1-12,15H2/p+2/t13-/m1/s1