(Z)-3-azanyl-2-(2-pyridin-1-ium-1-ylethanoyl)but-2-enenitrile

Systemtic Name: (Z)-3-azanyl-2-(2-pyridin-1-ium-1-ylethanoyl)but-2-enenitrile Openeye Name: (Z)-3-amino-2-(2-pyridin-1-ium-1-ylacetyl)but-2-enenitrile CAS Name: (Z)-3-amino-2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-2-butenenitrile IUPAC Name: (Z)-3-amino-2-(2-pyridin-1-ium-1-ylacetyl)but-2-enenitrile Traditional Name: (Z)-3-amino-2-(2-pyridin-1-ium-1-ylacetyl)but-2-enenitrile Formula: C11H12N3O+ MolecularWeight: 202.23248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C[N+]1=CC=CC=C1)N

Isomeric SMILES

C/C(=C(\C#N)/C(=O)C[N+]1=CC=CC=C1)/N

InChI

InChI=1S/C11H11N3O/c1-9(13)10(7-12)11(15)8-14-5-3-2-4-6-14/h2-6H,8H2,1H3,(H-,13,15)/p+1