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

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-oxidanyl-7-phenyl-chromen-2-one Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-hydroxy-7-phenyl-chromen-2-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-6-hydroxy-7-phenyl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-hydroxy-7-phenylchromen-2-one Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-hydroxy-7-phenyl-coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-2-23-8-10-24(11-9-23)15-17-12-22(26)27-21-14-18(20(25)13-19(17)21)16-6-4-3-5-7-16/h3-7,12-14,25H,2,8-11,15H2,1H3/p+1