[(1R)-1-(1-adamantyl)propyl]-[(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)propyl]-[(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)propyl]-[(3-ethoxycarbonylisoxazol-5-yl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)propyl]-[(3-ethoxycarbonyl-5-isoxazolyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)propyl]-[(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)propyl]-[(3-carbethoxyisoxazol-5-yl)methyl]ammonium Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=NO4)C(=O)OCC

Isomeric SMILES

CC[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=NO4)C(=O)OCC

InChI

InChI=1S/C20H30N2O3/c1-3-18(20-9-13-5-14(10-20)7-15(6-13)11-20)21-12-16-8-17(22-25-16)19(23)24-4-2/h8,13-15,18,21H,3-7,9-12H2,1-2H3/p+1/t13?,14?,15?,18-,20?/m1/s1