ethanedioate; 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-1,2,4-dithiazolidin-4-ium-3-amine

Systemtic Name: ethanedioate; 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-1,2,4-dithiazolidin-4-ium-3-amine Openeye Name: 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-1,2,4-dithiazolidin-4-ium-3-amine; oxalate CAS Name: 5-(3-ethyl-1-piperazinyl)-N,N-dimethyl-1,2,4-dithiazolidin-4-ium-3-amine; oxalate IUPAC Name: 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-1,2,4-dithiazolidin-4-ium-3-amine; oxalate Traditional Name: [5-(3-ethylpiperazino)-1,2,4-dithiazolidin-4-ium-3-yl]-dimethyl-amine; oxalate Formula: C22H46N8O4S4 MolecularWeight: 614.91184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1)C2[NH2+]C(SS2)N(C)C.CCC1CN(CCN1)C2[NH2+]C(SS2)N(C)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC1CN(CCN1)C2[NH2+]C(SS2)N(C)C.CCC1CN(CCN1)C2[NH2+]C(SS2)N(C)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C10H22N4S2.C2H2O4/c2*1-4-8-7-14(6-5-11-8)10-12-9(13(2)3)15-16-10;3-1(4)2(5)6/h2*8-12H,4-7H2,1-3H3;(H,3,4)(H,5,6)