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

Systemtic Name: N-[(4-methylphenyl)methyl]-N'-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-yl-propan-2-yl]ethanediamide Openeye Name: N'-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-N-(p-tolylmethyl)oxamide CAS Name: N-[(4-methylphenyl)methyl]-N'-[(1R,2R)-1-(4-morpholin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]oxamide IUPAC Name: N-[(4-methylphenyl)methyl]-N'-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide Traditional Name: N-(4-methylbenzyl)-N'-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]oxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=O)NC(C)C(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(=O)N[C@H](C)[C@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O3S/c1-15-5-7-17(8-6-15)14-22-20(25)21(26)23-16(2)19(18-4-3-13-28-18)24-9-11-27-12-10-24/h3-8,13,16,19H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)/p+1/t16-,19-/m1/s1