N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[3-(4-methylthiazol-5-yl)propyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(4-methyl-5-thiazolyl)propyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-[3-(4-methylthiazol-5-yl)propyl]acetamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCCNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=N1)CCCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-16-19(28-15-24-16)8-5-10-22-20(26)14-18-21(27)23-11-13-25(18)12-9-17-6-3-2-4-7-17/h2-4,6-7,15,18H,5,8-14H2,1H3,(H,22,26)(H,23,27)/p+1/t18-/m1/s1