2-azanyl-5-ethyl-4-(4-methoxyphenyl)-6-propyl-pyridin-1-ium-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OC)CC

Isomeric SMILES

CCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OC)CC

InChI

InChI=1S/C18H21N3O/c1-4-6-16-14(5-2)17(15(11-19)18(20)21-16)12-7-9-13(22-3)10-8-12/h7-10H,4-6H2,1-3H3,(H2,20,21)/p+1