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

Systemtic Name: (2,3-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(2,4-dimethoxybenzyl)piperazin-4-ium-1-yl]-(2,3-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=C(C(=CC=C3)OC)OC)OC

Isomeric SMILES

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

InChI

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