1-butyl-4-(3-methylazulen-1-yl)-2,6-diphenyl-pyridin-1-ium

Systemtic Name: 1-butyl-4-(3-methylazulen-1-yl)-2,6-diphenyl-pyridin-1-ium Openeye Name: 1-butyl-4-(3-methylazulen-1-yl)-2,6-diphenyl-pyridin-1-ium CAS Name: 1-butyl-4-(3-methyl-1-azulenyl)-2,6-diphenylpyridin-1-ium IUPAC Name: 1-butyl-4-(3-methylazulen-1-yl)-2,6-diphenylpyridin-1-ium Traditional Name: 1-butyl-4-(3-methylazulen-1-yl)-2,6-diphenyl-pyridin-1-ium Formula: C32H30N+ MolecularWeight: 428.5873

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC(=C4C3=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC(=C4C3=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C32H30N/c1-3-4-20-33-31(25-14-8-5-9-15-25)22-27(23-32(33)26-16-10-6-11-17-26)30-21-24(2)28-18-12-7-13-19-29(28)30/h5-19,21-23H,3-4,20H2,1-2H3/q+1