(3R)-3-[2-(1,2-oxazinan-2-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(1,2-oxazinan-2-yl)-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(2-oxazinanyl)-2-oxoethyl]-4-(3-pyridinylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(oxazinan-2-yl)ethyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-one Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCON(C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

C1CCON(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C16H22N4O3/c21-15(20-7-1-2-9-23-20)10-14-16(22)18-6-8-19(14)12-13-4-3-5-17-11-13/h3-5,11,14H,1-2,6-10,12H2,(H,18,22)/p+1/t14-/m1/s1