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

Systemtic Name: 4-[[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C23H24N3O2+ MolecularWeight: 374.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N3O2/c1-17-2-7-21-20(13-23(27)28-22(21)12-17)16-26-10-8-25(9-11-26)15-19-5-3-18(14-24)4-6-19/h2-7,12-13H,8-11,15-16H2,1H3/p+1