[3-acetamido-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl-(2-adamantyl)azanium

Systemtic Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]methyl-(2-adamantyl)azanium Openeye Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-(2-adamantyl)ammonium CAS Name: [3-acetamido-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl-(2-adamantyl)ammonium IUPAC Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl-(2-adamantyl)azanium Traditional Name: [3-acetamido-5-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]-(2-adamantyl)ammonium Formula: C25H38N4O2+2 MolecularWeight: 426.59482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)C(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)C(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C25H36N4O2/c1-16(30)27-23-13-19(12-22(14-23)25(31)29-5-3-28(2)4-6-29)15-26-24-20-8-17-7-18(10-20)11-21(24)9-17/h12-14,17-18,20-21,24,26H,3-11,15H2,1-2H3,(H,27,30)/p+2