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

Systemtic Name: 1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone Formula: C31H33N2O4+ MolecularWeight: 497.60472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-35-29-14-11-25(19-30(29)37-22-24-7-3-2-4-8-24)21-32-15-17-33(18-16-32)31(34)23-36-28-13-12-26-9-5-6-10-27(26)20-28/h2-14,19-20H,15-18,21-23H2,1H3/p+1