(2R)-2-methyl-4-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-1,4-benzoxazin-3-one

Systemtic Name: (2R)-2-methyl-4-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-1,4-benzoxazin-3-one Openeye Name: (2R)-2-methyl-4-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-1,4-benzoxazin-3-one CAS Name: (2R)-2-methyl-4-[2-oxo-2-(4-phenethyl-1-piperazin-4-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-2-methyl-4-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-1,4-benzoxazin-3-one Traditional Name: (2R)-4-[2-keto-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-2-methyl-1,4-benzoxazin-3-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-18-23(28)26(20-9-5-6-10-21(20)29-18)17-22(27)25-15-13-24(14-16-25)12-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/p+1/t18-/m1/s1