2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium

Systemtic Name: 2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium Openeye Name: 2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium CAS Name: 2-(1-adamantyl)-1-butyl-4,6-diphenylpyridin-1-ium IUPAC Name: 2-(1-adamantyl)-1-butyl-4,6-diphenylpyridin-1-ium Traditional Name: 2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium Formula: C31H36N+ MolecularWeight: 422.62424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H36N/c1-2-3-14-32-29(27-12-8-5-9-13-27)18-28(26-10-6-4-7-11-26)19-30(32)31-20-23-15-24(21-31)17-25(16-23)22-31/h4-13,18-19,23-25H,2-3,14-17,20-22H2,1H3/q+1