1-[5-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone

Systemtic Name: 1-[5-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone Openeye Name: 1-(3-benzyl-5-hydroxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethanone CAS Name: 1-[5-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone IUPAC Name: 1-(3-benzyl-5-hydroxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethanone Traditional Name: 1-(3-benzyl-5-hydroxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethanone Formula: C17H18NO3+ MolecularWeight: 284.32972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=C1)OC[NH+](C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(C2=C(C=C1)OC[NH+](C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C17H17NO3/c1-12(19)14-7-8-16-15(17(14)20)10-18(11-21-16)9-13-5-3-2-4-6-13/h2-8,20H,9-11H2,1H3/p+1