[2-[[[(5S,7R)-3-acetamido-1-adamantyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[[(5S,7R)-3-acetamido-1-adamantyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[(5S,7R)-3-acetamido-1-adamantyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C25H37N3O2/c1-4-28(5-2)16-22-9-7-6-8-21(22)15-26-23(30)24-11-19-10-20(12-24)14-25(13-19,17-24)27-18(3)29/h6-9,19-20H,4-5,10-17H2,1-3H3,(H,26,30)(H,27,29)/p+1/t19-,20+,24?,25?