[2-[[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H35N3O2/c1-16(22(28)25-14-20-6-4-5-7-21(20)15-27(2)3)26-23(29)24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,16-19H,8-15H2,1-3H3,(H,25,28)(H,26,29)/p+1/t16-,17?,18?,19?,24?/m0/s1