[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N2O6+ MolecularWeight: 417.47546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC)OC

InChI

InChI=1S/C22H28N2O6/c1-27-17-6-5-16(13-18(17)28-2)22(26)24-9-7-23(8-10-24)14-15-11-19(29-3)21(25)20(12-15)30-4/h5-6,11-13,25H,7-10,14H2,1-4H3/p+1