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

Systemtic Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-3-methoxy-benzamide Openeye Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-3-methoxy-benzamide CAS Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide IUPAC Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide Traditional Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-3-methoxy-benzamide Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=[NH+]2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=[NH+]2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C23H20N2O4/c1-13-9-19-21(10-14(13)2)29-23(25-19)18-8-7-16(12-20(18)26)24-22(27)15-5-4-6-17(11-15)28-3/h4-12,26H,1-3H3,(H,24,27)/p+1