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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)butan-1-one Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-2-3-16(19)18-8-6-17(7-9-18)11-13-4-5-14-15(10-13)21-12-20-14/h4-5,10H,2-3,6-9,11-12H2,1H3/p+1