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

Systemtic Name: 2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[(6-ethoxy-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile CAS Name: 2-[4-[(6-ethoxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumyl]acetonitrile IUPAC Name: 2-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile Traditional Name: 2-[4-[(6-ethoxy-2-keto-chromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC#N

InChI

InChI=1S/C18H21N3O3/c1-2-23-15-3-4-17-16(12-15)14(11-18(22)24-17)13-21-9-7-20(6-5-19)8-10-21/h3-4,11-12H,2,6-10,13H2,1H3/p+1