2-[1-adamantylcarbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1-adamantylcarbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[adamantane-1-carbonyl-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-adamantyl(oxo)methyl]-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[adamantane-1-carbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[adamantane-1-carbonyl-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]amino]ethyl-dimethyl-ammonium Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+](C)C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+](C)C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H32N4O3/c1-14-6-18(23-28-14)22-19(26)13-25(5-4-24(2)3)20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h6,15-17H,4-5,7-13H2,1-3H3,(H,22,23,26)/p+1