1-methyl-4-[1-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butoxymethyl]pyridin-1-ium-4-yl]pyridin-1-ium

Systemtic Name: 1-methyl-4-[1-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butoxymethyl]pyridin-1-ium-4-yl]pyridin-1-ium Openeye Name: 1-methyl-4-[1-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butoxymethyl]pyridin-1-ium-4-yl]pyridin-1-ium CAS Name: 1-methyl-4-[1-[4-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]butoxymethyl]-4-pyridin-1-iumyl]pyridin-1-ium IUPAC Name: 1-methyl-4-[1-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butoxymethyl]pyridin-1-ium-4-yl]pyridin-1-ium Traditional Name: 1-methyl-4-[1-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butoxymethyl]pyridin-1-ium-4-yl]pyridin-1-ium Formula: C27H32N4O+4 MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCOC[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCOC[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C

InChI

InChI=1S/C27H32N4O/c1-28-14-5-24(6-15-28)26-9-18-30(19-10-26)13-3-4-22-32-23-31-20-11-27(12-21-31)25-7-16-29(2)17-8-25/h5-12,14-21H,3-4,13,22-23H2,1-2H3/q+4