1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-piperonyl-ammonium Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C26H33N3O4/c1-31-23-9-7-22(8-10-23)27-12-14-28(15-13-27)26(30)18-29(21-4-2-3-5-21)17-20-6-11-24-25(16-20)33-19-32-24/h6-11,16,21H,2-5,12-15,17-19H2,1H3/p+1