N-(4-cyclopenta-1,3-dien-1-ylbutyl)-4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline

Systemtic Name: N-(4-cyclopenta-1,3-dien-1-ylbutyl)-4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline Openeye Name: N-(4-cyclopenta-1,3-dien-1-ylbutyl)-4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline CAS Name: N-[4-(1-cyclopenta-1,3-dienyl)butyl]-4-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]aniline IUPAC Name: N-(4-cyclopenta-1,3-dien-1-ylbutyl)-4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline Traditional Name: 4-cyclopenta-1,3-dien-1-ylbutyl-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]amine Formula: C26H29N3+2 MolecularWeight: 383.52856

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)NCCCCC4=CC=CC4

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)NCCCCC4=CC=CC4

InChI

InChI=1S/C26H28N3/c1-28-18-13-23(14-19-28)24-15-20-29(21-16-24)26-11-9-25(10-12-26)27-17-5-4-8-22-6-2-3-7-22/h2-3,6,9-16,18-21H,4-5,7-8,17H2,1H3/q+1/p+1