2-azanyl-5-butyl-4-(2-chlorophenyl)-6-pentyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-5-butyl-4-(2-chlorophenyl)-6-pentyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-butyl-4-(2-chlorophenyl)-6-pentyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-butyl-4-(2-chlorophenyl)-6-pentyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-butyl-4-(2-chlorophenyl)-6-pentylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-amyl-5-butyl-4-(2-chlorophenyl)pyridin-1-ium-3-carbonitrile Formula: C21H27ClN3+ MolecularWeight: 356.91218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2Cl)CCCC

Isomeric SMILES

CCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2Cl)CCCC

InChI

InChI=1S/C21H26ClN3/c1-3-5-7-13-19-16(10-6-4-2)20(17(14-23)21(24)25-19)15-11-8-9-12-18(15)22/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,24,25)/p+1