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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N3O4/c1-22(13-16-2-7-19-20(12-16)28-15-27-19)14-21(26)24-10-8-23(9-11-24)17-3-5-18(25)6-4-17/h2-7,12,25H,8-11,13-15H2,1H3/p+1