N1,N4-bis[2-azanyl-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[2-azanyl-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[2-amino-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide CAS Name: N1,N4-bis[2-amino-4-[oxo-[(1-propyl-3-pyridin-1-iumyl)amino]methyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[2-amino-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[2-amino-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide Formula: C38H40N8O4+2 MolecularWeight: 672.7754

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)N)N

Isomeric SMILES

CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)N)N

InChI

InChI=1S/C38H38N8O4/c1-3-17-45-19-5-7-29(23-45)41-37(49)27-13-15-33(31(39)21-27)43-35(47)25-9-11-26(12-10-25)36(48)44-34-16-14-28(22-32(34)40)38(50)42-30-8-6-20-46(24-30)18-4-2/h5-16,19-24H,3-4,17-18H2,1-2H3,(H6-2,39,40,41,42,43,44,47,48,49,50)/p+2