N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(2-thienyl)butyramide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC(=O)C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCC(=O)C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H26N2O4S/c1-26-17-6-4-16(5-7-17)18(23-10-12-27-13-11-23)15-22-21(25)9-8-19(24)20-3-2-14-28-20/h2-7,14,18H,8-13,15H2,1H3,(H,22,25)/p+1/t18-/m0/s1