4-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C23H31N3O3/c27-22(24-19-1-2-20-21(12-19)29-8-7-28-20)25-3-5-26(6-4-25)23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,12,16-18H,3-11,13-15H2,(H,24,27)/p+1