2-(1-ethanimidoylpiperidin-4-yl)-2-phenyl-ethanamide sulfate dihydrate

Systemtic Name: 2-(1-ethanimidoylpiperidin-4-yl)-2-phenyl-ethanamide sulfate dihydrate Openeye Name: 2-(1-ethanimidoyl-4-piperidyl)-2-phenyl-acetamide sulfate dihydrate CAS Name: 2-[1-(1-iminoethyl)-4-piperidinyl]-2-phenylacetamide sulfate dihydrate IUPAC Name: 2-(1-ethanimidoylpiperidin-4-yl)-2-phenylacetamide sulfate dihydrate Traditional Name: 2-(1-acetimidoyl-4-piperidyl)-2-phenyl-acetamide sulfate dihydrate Formula: C15H25N3O7S-2 MolecularWeight: 391.4399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)C(C2=CC=CC=C2)C(=O)N.O.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(=N)N1CCC(CC1)C(C2=CC=CC=C2)C(=O)N.O.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H21N3O.H2O4S.2H2O/c1-11(16)18-9-7-13(8-10-18)14(15(17)19)12-5-3-2-4-6-12;1-5(2,3)4;;/h2-6,13-14,16H,7-10H2,1H3,(H2,17,19);(H2,1,2,3,4);2*1H2/p-2