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

Systemtic Name: (3,5-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethoxyphenyl)-[4-(4-ethylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H28N2O3/c1-4-17-5-7-18(8-6-17)16-23-9-11-24(12-10-23)22(25)19-13-20(26-2)15-21(14-19)27-3/h5-8,13-15H,4,9-12,16H2,1-3H3/p+1