2-azanyl-6-hexyl-4-(2-methoxyphenyl)-5-pentyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-hexyl-4-(2-methoxyphenyl)-5-pentyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-hexyl-4-(2-methoxyphenyl)-5-pentyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-hexyl-4-(2-methoxyphenyl)-5-pentyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-hexyl-4-(2-methoxyphenyl)-5-pentylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-5-amyl-6-hexyl-4-(2-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2OC)CCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2OC)CCCCC

InChI

InChI=1S/C24H33N3O/c1-4-6-8-10-15-21-18(13-9-7-5-2)23(20(17-25)24(26)27-21)19-14-11-12-16-22(19)28-3/h11-12,14,16H,4-10,13,15H2,1-3H3,(H2,26,27)/p+1