3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromene-2,7-dione

Systemtic Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromene-2,7-dione Openeye Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromene-2,7-dione CAS Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromene-2,7-dione Traditional Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromene-2,7-quinone Formula: C23H26N4O3+2 MolecularWeight: 406.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4C)C(=O)O3)C=CC2=O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4C)C(=O)O3)C=CC2=O

InChI

InChI=1S/C23H24N4O3/c1-25-9-11-27(12-10-25)14-17-20(28)8-7-15-13-16(23(29)30-21(15)17)22-24-18-5-3-4-6-19(18)26(22)2/h3-8,13,24H,9-12,14H2,1-2H3/p+2