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

Systemtic Name: (3R)-3-[2-(1,2-oxazinan-2-yl)-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(2-oxazinanyl)-2-oxoethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(oxazinan-2-yl)ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCON(C1)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

C1CCON(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C18H25N3O3/c22-17(21-10-4-5-13-24-21)14-16-18(23)19-9-12-20(16)11-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,19,23)/p+1/t16-/m1/s1