N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H34N4O3+2 MolecularWeight: 402.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C

InChI

InChI=1S/C22H32N4O3/c1-16-6-7-18(28-5)17(12-16)14-25-8-10-26(11-9-25)15-20(27)23-21-13-19(24-29-21)22(2,3)4/h6-7,12-13H,8-11,14-15H2,1-5H3,(H,23,27)/p+2