4-[4-[1-(3-cyclopenta-1,4-dien-1-ylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[1-(3-cyclopenta-1,4-dien-1-ylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[1-(3-cyclopenta-1,4-dien-1-ylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzonitrile CAS Name: 4-[4-[1-[3-(1-cyclopenta-1,4-dienyl)propyl]-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]benzonitrile IUPAC Name: 4-[4-[1-(3-cyclopenta-1,4-dien-1-ylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzonitrile Traditional Name: 4-[4-[1-(3-cyclopenta-1,4-dien-1-ylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzonitrile Formula: C25H23N3+2 MolecularWeight: 365.47022

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C1)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C=CC(=C1)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H23N3/c26-20-22-7-9-25(10-8-22)28-18-13-24(14-19-28)23-11-16-27(17-12-23)15-3-6-21-4-1-2-5-21/h1,4-5,7-14,16-19H,2-3,6,15H2/q+2