2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-methyl-2-oxo-chromen-7-yl)oxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(2-keto-4-methyl-chromen-7-yl)oxy-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC[C@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C22H24N2O4S/c1-15-11-22(26)28-19-12-16(6-7-17(15)19)27-14-21(25)23-13-18(20-5-4-10-29-20)24-8-2-3-9-24/h4-7,10-12,18H,2-3,8-9,13-14H2,1H3,(H,23,25)/p+1/t18-/m1/s1