2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]ethyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-[2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate Formula: C21H22N3O5S+ MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC[N+]3=CC=C(C=C3)CCS(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC[N+]3=CC=C(C=C3)CCS(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N3O5S/c25-24(26)21-3-1-19(2-4-21)17-20-7-12-23(13-8-20)15-14-22-10-5-18(6-11-22)9-16-30(27,28)29/h1-8,10-13H,9,14-17H2/q+1