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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-14(24(2)12-15-3-4-19-20(8-15)27-13-26-19)21(25)23-22-9-16-5-17(10-22)7-18(6-16)11-22/h3-4,8,14,16-18H,5-7,9-13H2,1-2H3,(H,23,25)/p+1/t14-,16?,17?,18?,22?/m1/s1