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

Systemtic Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O4/c1-3-27-21-15-18(9-10-20(21)26-2)16-23-11-13-24(14-12-23)22(25)17-28-19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3/p+1