N-[(4-methoxyphenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]ethanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-N-p-anisyl-acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)N(CC2=CC=C(C=C2)OC)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H](CC1=CC=CS1)N(CC2=CC=C(C=C2)OC)C(=O)C[NH+]3CCNC(=O)C3

InChI

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