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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]ammonium Formula: C21H26N2O4S+2 MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H24N2O4S/c1-25-16-4-5-17-15(11-21(24)27-19(17)12-16)13-22-14-18(20-3-2-10-28-20)23-6-8-26-9-7-23/h2-5,10-12,18,22H,6-9,13-14H2,1H3/p+2/t18-/m1/s1