(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]ammonium Formula: C22H28N2O3S+2 MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C22H26N2O3S/c1-2-16-5-6-18-17(13-22(25)27-20(18)12-16)14-23-15-19(21-4-3-11-28-21)24-7-9-26-10-8-24/h3-6,11-13,19,23H,2,7-10,14-15H2,1H3/p+2/t19-/m1/s1