1-[4-[1-(cyclopenta-1,4-dien-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]isoquinoline

Systemtic Name: 1-[4-[1-(cyclopenta-1,4-dien-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]isoquinoline Openeye Name: 1-[4-[1-(cyclopenta-1,4-dien-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]isoquinoline CAS Name: 1-[4-[1-(1-cyclopenta-1,4-dienylmethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]isoquinoline IUPAC Name: 1-[4-[1-(cyclopenta-1,4-dien-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]isoquinoline Traditional Name: 1-[4-[1-(cyclopenta-1,4-dien-1-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]isoquinoline Formula: C25H21N3+2 MolecularWeight: 363.45434

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1C=CC(=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21N3/c1-2-6-20(5-1)19-27-15-10-21(11-16-27)22-12-17-28(18-13-22)25-24-8-4-3-7-23(24)9-14-26-25/h1,3-18H,2,19H2/q+2