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

Systemtic Name: (3,5-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethoxyphenyl)-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-4-28-19-7-5-17(6-8-19)16-23-9-11-24(12-10-23)22(25)18-13-20(26-2)15-21(14-18)27-3/h5-8,13-15H,4,9-12,16H2,1-3H3/p+1