1-(2-ethoxyphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-o-phenetyl-piperazin-1-ium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C21H26N2O4/c1-3-25-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-16-12-19(24-2)21-20(13-16)26-15-27-21/h4-7,12-13H,3,8-11,14-15H2,1-2H3/p+1