[4-(1-adamantyl)piperazin-4-ium-1-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1,3-benzodioxol-5-yl)methanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H28N2O3/c25-21(18-1-2-19-20(10-18)27-14-26-19)23-3-5-24(6-4-23)22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2/p+1