ethanedioate; 4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine

Systemtic Name: ethanedioate; 4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine Openeye Name: 4-methyl-N-[2-(1-piperidyl)ethyl]thiazol-2-amine; oxalate CAS Name: 4-methyl-N-[2-(1-piperidinyl)ethyl]-2-thiazolamine; oxalate IUPAC Name: 4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine; oxalate Traditional Name: (4-methylthiazol-2-yl)-(2-piperidinoethyl)amine; oxalate Formula: C36H38N6O28S2-14 MolecularWeight: 1066.84032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NCCN2CCCCC2.CC1=CSC(=N1)NCCN2CCCCC2.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CSC(=N1)NCCN2CCCCC2.CC1=CSC(=N1)NCCN2CCCCC2.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C11H19N3S.7C2H2O4/c2*1-10-9-15-11(13-10)12-5-8-14-6-3-2-4-7-14;7*3-1(4)2(5)6/h2*9H,2-8H2,1H3,(H,12,13);7*(H,3,4)(H,5,6)/p-14