3-azanylidene-2-[3-(but-3-ynoxymethyl)pyrazin-1-ium-1-yl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[3-(but-3-ynoxymethyl)pyrazin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 2-[3-(but-3-ynoxymethyl)pyrazin-1-ium-1-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[3-(but-3-ynoxymethyl)-1-pyrazin-1-iumyl]-3-imino-2-propenenitrile IUPAC Name: 2-[3-(but-3-ynoxymethyl)pyrazin-1-ium-1-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[3-(but-3-ynoxymethyl)pyrazin-1-ium-1-yl]-3-imino-acrylonitrile Formula: C12H11N4O+ MolecularWeight: 227.24194

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCOCC1=NC=C[N+](=C1)C(=C=N)C#N

Isomeric SMILES

C#CCCOCC1=NC=C[N+](=C1)C(=C=N)C#N

InChI

InChI=1S/C12H11N4O/c1-2-3-6-17-10-11-9-16(5-4-15-11)12(7-13)8-14/h1,4-5,9,13H,3,6,10H2/q+1