2-[4-[(6-methoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[(6-methoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[(6-methoxy-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile CAS Name: 2-[4-[(6-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumyl]acetonitrile IUPAC Name: 2-[4-[(6-methoxy-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile Traditional Name: 2-[4-[(2-keto-6-methoxy-chromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC#N

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC#N

InChI

InChI=1S/C17H19N3O3/c1-22-14-2-3-16-15(11-14)13(10-17(21)23-16)12-20-8-6-19(5-4-18)7-9-20/h2-3,10-11H,5-9,12H2,1H3/p+1