3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione

Systemtic Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione Openeye Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione CAS Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2,7-dione IUPAC Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione Traditional Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-quinone Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCCCC5

InChI

InChI=1S/C23H23N3O3/c1-25-19-8-4-3-7-18(19)24-22(25)16-13-15-9-10-20(27)17(21(15)29-23(16)28)14-26-11-5-2-6-12-26/h3-4,7-10,13,24H,2,5-6,11-12,14H2,1H3/p+1