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

Systemtic Name: 2-azanyl-4-(furan-2-yl)-6-hexyl-5-pentyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(2-furyl)-6-hexyl-5-pentyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2-furanyl)-6-hexyl-5-pentyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(furan-2-yl)-6-hexyl-5-pentylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-5-amyl-4-(2-furyl)-6-hexyl-pyridin-1-ium-3-carbonitrile Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CO2)CCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CO2)CCCCC

InChI

InChI=1S/C21H29N3O/c1-3-5-7-9-12-18-16(11-8-6-4-2)20(19-13-10-14-25-19)17(15-22)21(23)24-18/h10,13-14H,3-9,11-12H2,1-2H3,(H2,23,24)/p+1