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

Systemtic Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C24H26N5O2+ MolecularWeight: 416.49554

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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=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2/c30-23(17-27-13-15-28(16-14-27)24-25-11-6-12-26-24)29-20-9-4-5-10-22(20)31-18-21(29)19-7-2-1-3-8-19/h1-12,21H,13-18H2/p+1/t21-/m1/s1