(3,3-dimethyl-2-oxidanylidene-butyl) N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazin-4-iumcarboximidothioic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-benzyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC(=NC1=CC=CC=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC(=NC1=CC=CC=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3OS/c1-24(2,3)22(28)19-29-23(25-21-12-8-5-9-13-21)27-16-14-26(15-17-27)18-20-10-6-4-7-11-20/h4-13H,14-19H2,1-3H3/p+1