8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one

Systemtic Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-chromen-2-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenylchromen-2-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-coumarin Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

InChI

InChI=1S/C21H22N2O3/c1-22-9-11-23(12-10-22)14-18-19(24)8-7-16-17(13-20(25)26-21(16)18)15-5-3-2-4-6-15/h2-8,13,24H,9-12,14H2,1H3/p+1