3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione

Systemtic Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione Openeye Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione CAS Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2,7-dione IUPAC Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-dione Traditional Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(morpholin-4-ium-4-ylmethyl)chromene-2,7-quinone Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCOCC5

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCOCC5

InChI

InChI=1S/C22H21N3O4/c1-24-18-5-3-2-4-17(18)23-21(24)15-12-14-6-7-19(26)16(20(14)29-22(15)27)13-25-8-10-28-11-9-25/h2-7,12,23H,8-11,13H2,1H3/p+1