3-(1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C22H25N4O3+3 MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=CC=CC=C5N4)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=CC=CC=C5N4)O

InChI

InChI=1S/C22H22N4O3/c1-25-8-10-26(11-9-25)13-16-19(27)7-6-14-12-15(22(28)29-20(14)16)21-23-17-4-2-3-5-18(17)24-21/h2-7,12,27H,8-11,13H2,1H3,(H,23,24)/p+3