[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O3/c1-24(11-15-2-3-19-20(7-15)27-14-26-19)12-21(25)23-13-22-8-16-4-17(9-22)6-18(5-16)10-22/h2-3,7,16-18H,4-6,8-14H2,1H3,(H,23,25)/p+1