3,5-dimethyl-N-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-3,5-dimethyl-benzamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O2S/c1-18-12-19(2)14-21(13-18)24(31)26-15-23(30)29-10-8-28(9-11-29)16-22-17-32-25(27-22)20-6-4-3-5-7-20/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H,26,31)/p+1