5-[2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[4-(4-hydroxyphenyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]acetyl]amino]isophthalamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C21H24N4O4/c22-20(28)15-9-16(21(23)29)11-17(10-15)24-19(27)12-25-7-5-14(6-8-25)13-1-3-18(26)4-2-13/h1-4,9-11,14,26H,5-8,12H2,(H2,22,28)(H2,23,29)(H,24,27)/p+1