[2-[[3-(1-adamantylcarbonylamino)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-(1-adamantylcarbonylamino)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-(adamantane-1-carbonylamino)propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-(adamantane-1-carbonylamino)propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-(adamantane-1-carbonylamino)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O2/c1-27(2)16-21-6-4-3-5-20(21)15-26-22(28)7-8-25-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,17-19H,7-16H2,1-2H3,(H,25,29)(H,26,28)/p+1