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

Systemtic Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione Openeye Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione CAS Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione Traditional Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-quinone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4C)C(=O)O3)C=CC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4C)C(=O)O3)C=CC2=O

InChI

InChI=1S/C24H25N3O3/c1-15-9-11-27(12-10-15)14-18-21(28)8-7-16-13-17(24(29)30-22(16)18)23-25-19-5-3-4-6-20(19)26(23)2/h3-8,13,15,25H,9-12,14H2,1-2H3/p+1