N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-4-propoxy-benzamide

Systemtic Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-4-propoxy-benzamide Openeye Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-4-propoxy-benzamide CAS Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-4-propoxybenzamide IUPAC Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-4-propoxybenzamide Traditional Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-4-propoxy-benzamide Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O

InChI

InChI=1S/C23H20N2O4/c1-2-13-28-17-10-7-15(8-11-17)22(27)24-16-9-12-18(20(26)14-16)23-25-19-5-3-4-6-21(19)29-23/h3-12,14,26H,2,13H2,1H3,(H,24,27)/p+1