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

Systemtic Name: 2-azanyl-4-(2-methoxyphenyl)-5-methyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-isobutyl-4-(2-methoxyphenyl)-5-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2-methoxyphenyl)-5-methyl-6-(2-methylpropyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(2-methoxyphenyl)-5-methyl-6-(2-methylpropyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-isobutyl-4-(2-methoxyphenyl)-5-methyl-pyridin-1-ium-3-carbonitrile Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(C(=C1C2=CC=CC=C2OC)C#N)N)CC(C)C

Isomeric SMILES

CC1=C([NH+]=C(C(=C1C2=CC=CC=C2OC)C#N)N)CC(C)C

InChI

InChI=1S/C18H21N3O/c1-11(2)9-15-12(3)17(14(10-19)18(20)21-15)13-7-5-6-8-16(13)22-4/h5-8,11H,9H2,1-4H3,(H2,20,21)/p+1