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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O4/c1-25(11-14-2-3-18-19(7-14)29-13-28-18)12-20(26)23-21(27)24-22-8-15-4-16(9-22)6-17(5-15)10-22/h2-3,7,15-17H,4-6,8-13H2,1H3,(H2,23,24,26,27)/p+1