N,N-dimethyl-5-(2,4,6-trimethylpiperazin-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine benzoate

Systemtic Name: N,N-dimethyl-5-(2,4,6-trimethylpiperazin-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine benzoate Openeye Name: N,N-dimethyl-5-(2,4,6-trimethylpiperazin-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine benzoate CAS Name: N,N-dimethyl-5-(2,4,6-trimethyl-1-piperazinyl)-1,2,4-dithiazolidin-4-ium-3-amine benzoate IUPAC Name: N,N-dimethyl-5-(2,4,6-trimethylpiperazin-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine benzoate Traditional Name: dimethyl-[5-(2,4,6-trimethylpiperazino)-1,2,4-dithiazolidin-4-ium-3-yl]amine benzoate Formula: C18H30N4O2S2 MolecularWeight: 398.5864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2[NH2+]C(SS2)N(C)C)C)C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1CN(CC(N1C2[NH2+]C(SS2)N(C)C)C)C.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C11H24N4S2.C7H6O2/c1-8-6-14(5)7-9(2)15(8)11-12-10(13(3)4)16-17-11;8-7(9)6-4-2-1-3-5-6/h8-12H,6-7H2,1-5H3;1-5H,(H,8,9)