(3,5-dimethoxy-4-phenylmethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethoxy-4-phenylmethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzyloxy-3,5-dimethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (4-benzoxy-3,5-dimethoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O4/c1-28-14-15-29(23(18-28)21-12-8-5-9-13-21)27(30)22-16-24(31-2)26(25(17-22)32-3)33-19-20-10-6-4-7-11-20/h4-13,16-17,23H,14-15,18-19H2,1-3H3/p+1/t23-/m0/s1