(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]azanium Traditional Name: (2-keto-6,7-dimethyl-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:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CS3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CS3)[NH+]4CCOCC4)C

InChI

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