3-(4-bromophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(4-bromophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(4-bromophenyl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C21H22BrN2O3+ MolecularWeight: 430.31498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C21H21BrN2O3/c1-23-8-10-24(11-9-23)12-17-19(25)7-6-16-20(26)18(13-27-21(16)17)14-2-4-15(22)5-3-14/h2-7,13,25H,8-12H2,1H3/p+1