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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 3-cyclopentyl-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H28N2O3/c23-20(8-6-16-3-1-2-4-16)22-11-9-21(10-12-22)14-17-5-7-18-19(13-17)25-15-24-18/h5,7,13,16H,1-4,6,8-12,14-15H2/p+1