N,N'-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]heptanediamide diperchlorate

Systemtic Name: N,N'-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]heptanediamide diperchlorate Openeye Name: N,N'-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]heptanediamide diperchlorate CAS Name: N,N'-bis[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]heptanediamide diperchlorate IUPAC Name: N,N'-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]heptanediamide diperchlorate Traditional Name: N,N'-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]pimelamide diperchlorate Formula: C33H40Cl2N6O10 MolecularWeight: 751.6109

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CCCCCC(=O)NC3=CC=C(C=C3)NC4=CC=[N+](C=C4)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CCCCCC(=O)NC3=CC=C(C=C3)NC4=CC=[N+](C=C4)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H38N6O2.2ClHO4/c1-3-38-22-18-30(19-23-38)34-26-10-14-28(15-11-26)36-32(40)8-6-5-7-9-33(41)37-29-16-12-27(13-17-29)35-31-20-24-39(4-2)25-21-31;2*2-1(3,4)5/h10-25H,3-9H2,1-2H3,(H2,36,37,40,41);2*(H,2,3,4,5)