1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)pentan-1-one Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N2O3/c1-2-3-4-17(20)19-9-7-18(8-10-19)12-14-5-6-15-16(11-14)22-13-21-15/h5-6,11H,2-4,7-10,12-13H2,1H3/p+1