1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)-4-(2-thienyl)butan-1-one Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C20H24N2O3S/c23-20(5-1-3-17-4-2-12-26-17)22-10-8-21(9-11-22)14-16-6-7-18-19(13-16)25-15-24-18/h2,4,6-7,12-13H,1,3,5,8-11,14-15H2/p+1