1-[3-(2,4-ditert-butylcyclopenta-1,4-dien-1-yl)propyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium

Systemtic Name: 1-[3-(2,4-ditert-butylcyclopenta-1,4-dien-1-yl)propyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Openeye Name: 1-[3-(2,4-ditert-butylcyclopenta-1,4-dien-1-yl)propyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium CAS Name: 1-[3-(2,4-ditert-butyl-1-cyclopenta-1,4-dienyl)propyl]-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium IUPAC Name: 1-[3-(2,4-ditert-butylcyclopenta-1,4-dien-1-yl)propyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Traditional Name: 1-[3-(2,4-ditert-butylcyclopenta-1,4-dien-1-yl)propyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Formula: C27H38N2+2 MolecularWeight: 390.60402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C1)C(C)(C)C)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C1)C(C)(C)C)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C

InChI

InChI=1S/C27H38N2/c1-26(2,3)24-19-23(25(20-24)27(4,5)6)9-8-14-29-17-12-22(13-18-29)21-10-15-28(7)16-11-21/h10-13,15-19H,8-9,14,20H2,1-7H3/q+2