3-(1H-benzimidazol-2-yl)-6-ethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CCCC(C5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CCC[C@@H](C5)C)O

InChI

InChI=1S/C25H27N3O3/c1-3-16-11-17-23(30)19(25-26-20-8-4-5-9-21(20)27-25)14-31-24(17)18(22(16)29)13-28-10-6-7-15(2)12-28/h4-5,8-9,11,14-15,29H,3,6-7,10,12-13H2,1-2H3,(H,26,27)/p+1/t15-/m0/s1