N-(1-adamantyl)-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(1-adamantyl)-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]acetamide Formula: C25H36N3O3+ MolecularWeight: 426.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H35N3O3/c1-16-7-17(3-4-22(16)31-2)15-28-6-5-26-24(30)21(28)11-23(29)27-25-12-18-8-19(13-25)10-20(9-18)14-25/h3-4,7,18-21H,5-6,8-15H2,1-2H3,(H,26,30)(H,27,29)/p+1/t18?,19?,20?,21-,25?/m1/s1