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

Systemtic Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-4-butoxy-benzamide Openeye Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-4-butoxy-benzamide CAS Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-4-butoxybenzamide IUPAC Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-4-butoxybenzamide Traditional Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-4-butoxy-benzamide Formula: C24H23N2O4+ MolecularWeight: 403.45042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O

InChI

InChI=1S/C24H22N2O4/c1-2-3-14-29-18-11-8-16(9-12-18)23(28)25-17-10-13-19(21(27)15-17)24-26-20-6-4-5-7-22(20)30-24/h4-13,15,27H,2-3,14H2,1H3,(H,25,28)/p+1