diethyl-[[3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl]azanium

Systemtic Name: diethyl-[[3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxo-6-propyl-chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[7-hydroxy-3-(1-methyl-2-benzimidazolyl)-4-oxo-6-propyl-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxo-6-propylchromen-8-yl]methyl]azanium Traditional Name: diethyl-[[7-hydroxy-4-keto-3-(1-methylbenzimidazol-2-yl)-6-propyl-chromen-8-yl]methyl]ammonium Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+](CC)CC)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+](CC)CC)O

InChI

InChI=1S/C25H29N3O3/c1-5-10-16-13-17-23(30)19(25-26-20-11-8-9-12-21(20)27(25)4)15-31-24(17)18(22(16)29)14-28(6-2)7-3/h8-9,11-13,15,29H,5-7,10,14H2,1-4H3/p+1