N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]butanamide

Systemtic Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]butanamide Openeye Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]butanamide CAS Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]butanamide IUPAC Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]butanamide Traditional Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]butyramide Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)C2=[NH+]C3=C(O2)C=C(C(=C3)C)C)O

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)C2=[NH+]C3=C(O2)C=C(C(=C3)C)C)O

InChI

InChI=1S/C19H20N2O3/c1-4-5-18(23)20-13-6-7-14(16(22)10-13)19-21-15-8-11(2)12(3)9-17(15)24-19/h6-10,22H,4-5H2,1-3H3,(H,20,23)/p+1