[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-m-anisyl-methyl-ammonium Formula: C23H34N3O3+ MolecularWeight: 400.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H33N3O3/c1-15(26(2)14-16-5-4-6-20(10-16)29-3)21(27)24-22(28)25-23-11-17-7-18(12-23)9-19(8-17)13-23/h4-6,10,15,17-19H,7-9,11-14H2,1-3H3,(H2,24,25,27,28)/p+1/t15-,17?,18?,19?,23?/m1/s1