2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile CAS Name: 2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumyl]acetonitrile IUPAC Name: 2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile Traditional Name: 2-[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-4-ium-1-yl]acetonitrile Formula: C17H20N3O2+ MolecularWeight: 298.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC#N

InChI

InChI=1S/C17H19N3O2/c1-13-2-3-15-14(11-17(21)22-16(15)10-13)12-20-8-6-19(5-4-18)7-9-20/h2-3,10-11H,5-9,12H2,1H3/p+1