N1,N3,N5-tris(pyridin-1-ium-3-ylmethyl)benzene-1,3,5-tricarboxamide

Systemtic Name: N1,N3,N5-tris(pyridin-1-ium-3-ylmethyl)benzene-1,3,5-tricarboxamide Openeye Name: N1,N3,N5-tris(pyridin-1-ium-3-ylmethyl)benzene-1,3,5-tricarboxamide CAS Name: N1,N3,N5-tris(3-pyridin-1-iumylmethyl)benzene-1,3,5-tricarboxamide IUPAC Name: 1-N,3-N,5-N-tris(pyridin-1-ium-3-ylmethyl)benzene-1,3,5-tricarboxamide Traditional Name: N1,N3,N5-tris(pyridin-1-ium-3-ylmethyl)benzene-1,3,5-tricarboxamide Formula: C27H27N6O3+3 MolecularWeight: 483.54168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CNC(=O)C2=CC(=CC(=C2)C(=O)NCC3=C[NH+]=CC=C3)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC(=C[NH+]=C1)CNC(=O)C2=CC(=CC(=C2)C(=O)NCC3=C[NH+]=CC=C3)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C27H24N6O3/c34-25(31-16-19-4-1-7-28-13-19)22-10-23(26(35)32-17-20-5-2-8-29-14-20)12-24(11-22)27(36)33-18-21-6-3-9-30-15-21/h1-15H,16-18H2,(H,31,34)(H,32,35)(H,33,36)/p+3