1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)OC

InChI

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