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

Systemtic Name: N1,N4-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methyl-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methyl-terephthalamide CAS Name: N1,N4-bis[4-[[(1-ethyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]-2-methylbenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methylbenzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methyl-terephthalamide Formula: C37H36N6O4+2 MolecularWeight: 628.71954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H34N6O4/c1-4-42-20-6-8-31(23-42)40-34(44)26-10-15-29(16-11-26)38-36(46)28-14-19-33(25(3)22-28)37(47)39-30-17-12-27(13-18-30)35(45)41-32-9-7-21-43(5-2)24-32/h6-24H,4-5H2,1-3H3,(H2-2,38,39,40,41,44,45,46,47)/p+2