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

Systemtic Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](COC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CC=N5

InChI

InChI=1S/C26H28N4O2/c31-26(19-29-16-14-28(15-17-29)18-22-10-6-7-13-27-22)30-23-11-4-5-12-25(23)32-20-24(30)21-8-2-1-3-9-21/h1-13,24H,14-20H2/p+1/t24-/m0/s1