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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OC)CC(C)C

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OC)CC(C)C

InChI

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