4-[5-phenyl-2-(phenylmethyl)-1,3-benzoxazol-3-ium-3-yl]butan-2-one

Systemtic Name: 4-[5-phenyl-2-(phenylmethyl)-1,3-benzoxazol-3-ium-3-yl]butan-2-one Openeye Name: 4-(2-benzyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butan-2-one CAS Name: 4-[5-phenyl-2-(phenylmethyl)-1,3-benzoxazol-3-ium-3-yl]-2-butanone IUPAC Name: 4-(2-benzyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butan-2-one Traditional Name: 4-(2-benzyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butan-2-one Formula: C24H22NO2+ MolecularWeight: 356.43698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22NO2/c1-18(26)14-15-25-22-17-21(20-10-6-3-7-11-20)12-13-23(22)27-24(25)16-19-8-4-2-5-9-19/h2-13,17H,14-16H2,1H3/q+1