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

Systemtic Name: 1-adamantyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1-adamantyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1-adamantyl-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1-adamantyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1-adamantyl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H30N2O3/c26-22(23-11-17-7-18(12-23)9-19(8-17)13-23)25-5-3-24(4-6-25)14-16-1-2-20-21(10-16)28-15-27-20/h1-2,10,17-19H,3-9,11-15H2/p+1