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

Systemtic Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C26H28N3O2+ MolecularWeight: 414.51942

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c30-26(19-27-15-17-28(18-16-27)22-11-5-2-6-12-22)29-23-13-7-8-14-25(23)31-20-24(29)21-9-3-1-4-10-21/h1-14,24H,15-20H2/p+1/t24-/m1/s1