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

Systemtic Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-4-28-22-15-19(7-10-21(22)27-3)16-24-11-13-25(14-12-24)23(26)17-29-20-8-5-18(2)6-9-20/h5-10,15H,4,11-14,16-17H2,1-3H3/p+1