2-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-3-oxidanyl-benzo[c]chromen-6-one hydrobromide

Systemtic Name: 2-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-3-oxidanyl-benzo[c]chromen-6-one hydrobromide Openeye Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzo[c]chromen-6-one hydrobromide CAS Name: 2-ethyl-3-hydroxy-4-[(4-methyl-1-piperazinyl)methyl]-6-benzo[c][1]benzopyranone hydrobromide IUPAC Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzo[c]chromen-6-one hydrobromide Traditional Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperazino)methyl]benzo[c]chromen-6-one hydrobromide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)CN4CCN(CC4)C)O.Br

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)CN4CCN(CC4)C)O.Br

InChI

InChI=1S/C21H24N2O3.BrH/c1-3-14-12-17-15-6-4-5-7-16(15)21(25)26-20(17)18(19(14)24)13-23-10-8-22(2)9-11-23;/h4-7,12,24H,3,8-11,13H2,1-2H3;1H