N-methyl-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(1,3-thiazol-2-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(1,3-thiazol-2-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(thiazol-2-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-(2-thiazolylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-methyl-N-(thiazol-2-ylmethyl)acetamide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=CS1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC=CS1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-27(17-22-25-11-13-32-22)23(29)15-21-24(30)26-10-12-28(21)16-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-9,11,13-14,21H,10,12,15-17H2,1H3,(H,26,30)/p+1/t21-/m1/s1