1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethylpiperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethylpiperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-piperazin-4-ium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O2/c1-2-4-18(5-3-1)8-9-22-10-12-23(13-11-22)17-19-6-7-20-21(16-19)25-15-14-24-20/h1-7,16H,8-15,17H2/p+1