5-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]isophthalamide Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C16H22N4O3/c1-10-4-2-3-5-20(10)9-14(21)19-13-7-11(15(17)22)6-12(8-13)16(18)23/h6-8,10H,2-5,9H2,1H3,(H2,17,22)(H2,18,23)(H,19,21)/p+1/t10-/m0/s1