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

Systemtic Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-phenyl-benzo[h]chromen-2-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-benzo[h]chromen-2-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-phenyl-2-benzo[h][1]benzopyranone IUPAC Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenylbenzo[h]chromen-2-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-benzo[h]chromen-2-one Formula: C25H25N2O3+ MolecularWeight: 401.4776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C3=C(C=C2)C4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C3=C(C=C2)C4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5)O

InChI

InChI=1S/C25H24N2O3/c1-26-11-13-27(14-12-26)16-18-7-8-20-19(24(18)29)9-10-21-22(15-23(28)30-25(20)21)17-5-3-2-4-6-17/h2-10,15,29H,11-14,16H2,1H3/p+1