N-[(4-chlorophenyl)methyl]-N'-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-yl-propan-2-yl]ethanediamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-N'-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-yl-propan-2-yl]ethanediamide Openeye Name: N-[(4-chlorophenyl)methyl]-N'-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]oxamide CAS Name: N-[(4-chlorophenyl)methyl]-N'-[(1R,2R)-1-(4-morpholin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]oxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-N'-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide Traditional Name: N-(4-chlorobenzyl)-N'-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]oxamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCOCC2)NC(=O)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCOCC2)NC(=O)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-14(18(17-3-2-12-28-17)24-8-10-27-11-9-24)23-20(26)19(25)22-13-15-4-6-16(21)7-5-15/h2-7,12,14,18H,8-11,13H2,1H3,(H,22,25)(H,23,26)/p+1/t14-,18-/m1/s1