N-(1-adamantyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C24H35N3O3+2 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H33N3O3/c28-23(25-24-11-18-7-19(12-24)9-20(8-18)13-24)15-27-5-3-26(4-6-27)14-17-1-2-21-22(10-17)30-16-29-21/h1-2,10,18-20H,3-9,11-16H2,(H,25,28)/p+2