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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C26H28N3O3+ MolecularWeight: 430.51882

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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=C5O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5O

InChI

InChI=1S/C26H27N3O3/c30-24-12-6-4-10-21(24)28-16-14-27(15-17-28)18-26(31)29-22-11-5-7-13-25(22)32-19-23(29)20-8-2-1-3-9-20/h1-13,23,30H,14-19H2/p+1/t23-/m1/s1