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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-o-veratryl-piperazin-4-ium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

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