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

Systemtic Name: 1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4/c1-22-7-6-10-25(17-22)33-21-28(31)30-15-13-29(14-16-30)19-24-11-12-26(32-2)27(18-24)34-20-23-8-4-3-5-9-23/h3-12,17-18H,13-16,19-21H2,1-2H3/p+1