4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxidanyl-7-phenyl-chromen-2-one

Systemtic Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-oxidanyl-7-phenyl-chromen-2-one Openeye Name: 6-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-phenyl-chromen-2-one CAS Name: 6-hydroxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-7-phenyl-1-benzopyran-2-one IUPAC Name: 6-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-phenylchromen-2-one Traditional Name: 6-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-phenyl-coumarin Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

InChI

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