[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H31N3O4/c1-14(26(2)12-15-3-4-19-20(8-15)30-13-29-19)21(27)24-22(28)25-23-9-16-5-17(10-23)7-18(6-16)11-23/h3-4,8,14,16-18H,5-7,9-13H2,1-2H3,(H2,24,25,27,28)/p+1/t14-,16?,17?,18?,23?/m1/s1