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

Systemtic Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](COC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C25H26N4O2/c30-25(18-27-14-16-28(17-15-27)24-12-6-7-13-26-24)29-21-10-4-5-11-23(21)31-19-22(29)20-8-2-1-3-9-20/h1-13,22H,14-19H2/p+1/t22-/m0/s1