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

Systemtic Name: N-(1-adamantylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H35N3O3/c29-24(26-16-25-11-19-7-20(12-25)9-21(8-19)13-25)15-28-5-3-27(4-6-28)14-18-1-2-22-23(10-18)31-17-30-22/h1-2,10,19-21H,3-9,11-17H2,(H,26,29)/p+2