2-azanyl-4-(2-chlorophenyl)-5-methyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2-chlorophenyl)-5-methyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(2-chlorophenyl)-6-isobutyl-5-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2-chlorophenyl)-5-methyl-6-(2-methylpropyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(2-chlorophenyl)-5-methyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(2-chlorophenyl)-6-isobutyl-5-methyl-pyridin-1-ium-3-carbonitrile Formula: C17H19ClN3+ MolecularWeight: 300.80586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(C(=C1C2=CC=CC=C2Cl)C#N)N)CC(C)C

Isomeric SMILES

CC1=C([NH+]=C(C(=C1C2=CC=CC=C2Cl)C#N)N)CC(C)C

InChI

InChI=1S/C17H18ClN3/c1-10(2)8-15-11(3)16(13(9-19)17(20)21-15)12-6-4-5-7-14(12)18/h4-7,10H,8H2,1-3H3,(H2,20,21)/p+1