2-(dibutylamino)-4,6-diphenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(dibutylamino)-4,6-diphenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-(dibutylamino)-4,6-diphenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-(dibutylamino)-4,6-diphenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(dibutylamino)-4,6-diphenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(dibutylamino)-4,6-diphenyl-pyridin-1-ium-3-carbonitrile Formula: C26H30N3+ MolecularWeight: 384.5365

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C(=CC(=[NH+]1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCN(CCCC)C1=C(C(=CC(=[NH+]1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H29N3/c1-3-5-17-29(18-6-4-2)26-24(20-27)23(21-13-9-7-10-14-21)19-25(28-26)22-15-11-8-12-16-22/h7-16,19H,3-6,17-18H2,1-2H3/p+1