1-[(3R)-3-(2-methoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(3R)-3-(2-methoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(3R)-3-(2-methoxyphenoxy)-3-phenyl-propyl]piperazin-4-ium CAS Name: 1-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(3R)-3-(2-methoxyphenoxy)-3-phenyl-propyl]piperazin-4-ium Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(CC[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1O[C@H](CC[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2/c1-30-26-14-8-9-15-27(26)31-25(24-12-6-3-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3/p+1/t25-/m1/s1