6-[4-[(E)-2-pyren-4-ylethenyl]pyridin-1-ium-1-yl]hexan-1-amine

Systemtic Name: 6-[4-[(E)-2-pyren-4-ylethenyl]pyridin-1-ium-1-yl]hexan-1-amine Openeye Name: 6-[4-[(E)-2-pyren-4-ylvinyl]pyridin-1-ium-1-yl]hexan-1-amine CAS Name: 6-[4-[(E)-2-(4-pyrenyl)ethenyl]-1-pyridin-1-iumyl]-1-hexanamine IUPAC Name: 6-[4-[(E)-2-pyren-4-ylethenyl]pyridin-1-ium-1-yl]hexan-1-amine Traditional Name: 6-[4-[(E)-2-pyren-4-ylvinyl]pyridin-1-ium-1-yl]hexylamine Formula: C29H29N2+ MolecularWeight: 405.55396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)C=CC5=CC=[N+](C=C5)CCCCCCN

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)/C=C/C5=CC=[N+](C=C5)CCCCCCN

InChI

InChI=1S/C29H29N2/c30-17-3-1-2-4-18-31-19-15-22(16-20-31)11-12-25-21-26-9-5-7-23-13-14-24-8-6-10-27(25)29(24)28(23)26/h5-16,19-21H,1-4,17-18,30H2/q+1/b12-11+