1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethanone Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](COC3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H25N3O3S/c29-24(17-26-12-14-27(15-13-26)25(30)23-11-6-16-32-23)28-20-9-4-5-10-22(20)31-18-21(28)19-7-2-1-3-8-19/h1-11,16,21H,12-15,17-18H2/p+1/t21-/m0/s1