13-[1-[12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-3-yl]tridecan-1-amine

Systemtic Name: 13-[1-[12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-3-yl]tridecan-1-amine Openeye Name: 13-[1-[12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-3-yl]tridecan-1-amine CAS Name: 13-[1-[12-[1-(2,4-dinitrophenyl)-3-pyridin-1-iumyl]dodecyl]-3-pyridin-1-iumyl]-1-tridecanamine IUPAC Name: 13-[1-[12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-3-yl]tridecan-1-amine Traditional Name: 13-[1-[12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-3-yl]tridecylamine Formula: C41H63N5O4+2 MolecularWeight: 689.97002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCCCCCCCCCCC2=C[N+](=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCCCCCCCCCCCCN

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCCCCCCCCCCC2=C[N+](=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCCCCCCCCCCCCN

InChI

InChI=1S/C41H63N5O4/c42-30-20-16-12-8-4-1-2-6-10-14-18-24-37-26-22-32-43(35-37)31-21-17-13-9-5-3-7-11-15-19-25-38-27-23-33-44(36-38)40-29-28-39(45(47)48)34-41(40)46(49)50/h22-23,26-29,32-36H,1-21,24-25,30-31,42H2/q+2