1-[(2S)-heptan-2-yl]-2,4,6-triphenyl-pyridin-1-ium

Systemtic Name: 1-[(2S)-heptan-2-yl]-2,4,6-triphenyl-pyridin-1-ium Openeye Name: 1-[(1S)-1-methylhexyl]-2,4,6-triphenyl-pyridin-1-ium CAS Name: 1-[(2S)-heptan-2-yl]-2,4,6-triphenylpyridin-1-ium IUPAC Name: 1-[(2S)-heptan-2-yl]-2,4,6-triphenylpyridin-1-ium Traditional Name: 1-[(1S)-1-methylhexyl]-2,4,6-triphenyl-pyridin-1-ium Formula: C30H32N+ MolecularWeight: 406.58178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC[C@H](C)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32N/c1-3-4-8-15-24(2)31-29(26-18-11-6-12-19-26)22-28(25-16-9-5-10-17-25)23-30(31)27-20-13-7-14-21-27/h5-7,9-14,16-24H,3-4,8,15H2,1-2H3/q+1/t24-/m0/s1