methyl 2-[(2R)-3-oxidanylidene-1-[(2-phenylazanyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-3-oxidanylidene-1-[(2-phenylazanyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(2-anilinothiazol-4-yl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(2-anilino-4-thiazolyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[(2-anilinothiazol-4-yl)methyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC2=CSC(=N2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CSC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3S/c1-24-15(22)9-14-16(23)18-7-8-21(14)10-13-11-25-17(20-13)19-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,18,23)(H,19,20)/p+1/t14-/m1/s1