N4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzene-1,4-dicarboxamide

Systemtic Name: N4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzene-1,4-dicarboxamide Openeye Name: N4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]terephthalamide CAS Name: N4-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzene-1,4-dicarboxamide IUPAC Name: 4-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzene-1,4-dicarboxamide Traditional Name: N'-[4-(piperidin-1-ium-1-ylmethyl)benzyl]terephthalamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H25N3O2/c22-20(25)18-8-10-19(11-9-18)21(26)23-14-16-4-6-17(7-5-16)15-24-12-2-1-3-13-24/h4-11H,1-3,12-15H2,(H2,22,25)(H,23,26)/p+1