3-(1,3-dihydrobenzimidazol-2-ylidene)-8-(piperidin-1-ium-1-ylmethyl)chromene-2,7-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4)C(=O)O3)C=CC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C22H21N3O3/c26-19-9-8-14-12-15(21-23-17-6-2-3-7-18(17)24-21)22(27)28-20(14)16(19)13-25-10-4-1-5-11-25/h2-3,6-9,12,23-24H,1,4-5,10-11,13H2/p+1