3-[4-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(7-hydroxy-4-oxo-3-phenyl-chromen-8-yl)methyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[(7-hydroxy-4-oxo-3-phenyl-1-benzopyran-8-yl)methyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(7-hydroxy-4-keto-3-phenyl-chromen-8-yl)methyl]piperazin-4-ium-1-yl]propionitrile Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)CCC#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)CCC#N

InChI

InChI=1S/C23H23N3O3/c24-9-4-10-25-11-13-26(14-12-25)15-19-21(27)8-7-18-22(28)20(16-29-23(18)19)17-5-2-1-3-6-17/h1-3,5-8,16,27H,4,10-15H2/p+1