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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3-methyl-1H-benzimidazol-2-ylidene)chromene-2,7-dione Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3-methyl-1H-benzimidazol-2-ylidene)chromene-2,7-dione CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(3-methyl-1H-benzimidazol-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3-methyl-1H-benzimidazol-2-ylidene)chromene-2,7-dione Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3-methyl-1H-benzimidazol-2-ylidene)chromene-2,7-quinone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCCCCC5

InChI

InChI=1S/C24H25N3O3/c1-26-20-9-5-4-8-19(20)25-23(26)17-14-16-10-11-21(28)18(22(16)30-24(17)29)15-27-12-6-2-3-7-13-27/h4-5,8-11,14,25H,2-3,6-7,12-13,15H2,1H3/p+1