(3,4-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(2,4-dimethoxybenzyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H28N2O5/c1-26-18-7-5-17(20(14-18)28-3)15-23-9-11-24(12-10-23)22(25)16-6-8-19(27-2)21(13-16)29-4/h5-8,13-14H,9-12,15H2,1-4H3/p+1