1-[3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

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