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

Systemtic Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione Openeye Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione CAS Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2,7-dione IUPAC Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione Traditional Name: 3-(3-methyl-1H-benzimidazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-quinone Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCCC5

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C3C=C4C=CC(=O)C(=C4OC3=O)C[NH+]5CCCC5

InChI

InChI=1S/C22H21N3O3/c1-24-18-7-3-2-6-17(18)23-21(24)15-12-14-8-9-19(26)16(20(14)28-22(15)27)13-25-10-4-5-11-25/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3/p+1