N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-phenoxy-benzamide CAS Name: N-[2-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-phenoxybenzamide IUPAC Name: N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-phenoxybenzamide Traditional Name: N-[2-keto-2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-4-phenoxy-benzamide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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