1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-ethoxybenzyl)-4-piperonyl-piperazin-1-ium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O3/c1-2-24-19-6-3-17(4-7-19)14-22-9-11-23(12-10-22)15-18-5-8-20-21(13-18)26-16-25-20/h3-8,13H,2,9-12,14-16H2,1H3/p+1