2-azanyl-6-hexyl-5-pentyl-4-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-hexyl-5-pentyl-4-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-hexyl-5-pentyl-4-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-hexyl-5-pentyl-4-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-hexyl-5-pentyl-4-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-5-amyl-6-hexyl-4-phenyl-pyridin-1-ium-3-carbonitrile Formula: C23H32N3+ MolecularWeight: 350.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2)CCCCC

InChI

InChI=1S/C23H31N3/c1-3-5-7-12-16-21-19(15-9-6-4-2)22(18-13-10-8-11-14-18)20(17-24)23(25)26-21/h8,10-11,13-14H,3-7,9,12,15-16H2,1-2H3,(H2,25,26)/p+1