(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C20H22ClN2O3S+ MolecularWeight: 405.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)Cl)C)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)Cl)C)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H21ClN2O3S/c1-3-23(12-19(24)22-10-15-5-4-6-27-15)11-14-8-20(25)26-18-7-13(2)17(21)9-16(14)18/h4-9H,3,10-12H2,1-2H3,(H,22,24)/p+1