1-(1,3-benzodioxol-5-yl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-yl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCN(CC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCN(CC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N2O5/c1-25-20-12-16(13-21(26-2)22(20)27-3)6-7-23-8-10-24(11-9-23)17-4-5-18-19(14-17)29-15-28-18/h4-5,12-14H,6-11,15H2,1-3H3/p+1