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

Systemtic Name: 1-[(3R)-3-(2-ethoxyphenoxy)-3-phenyl-propyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(3R)-3-(2-ethoxyphenoxy)-3-phenyl-propyl]piperazin-4-ium CAS Name: 1-[(3R)-3-(2-ethoxyphenoxy)-3-phenylpropyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(3R)-3-(2-ethoxyphenoxy)-3-phenylpropyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(3R)-3-(2-ethoxyphenoxy)-3-phenyl-propyl]piperazin-4-ium Formula: C28H35N2O2+ MolecularWeight: 431.5897

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(CC[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1O[C@H](CC[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N2O2/c1-2-31-27-15-9-10-16-28(27)32-26(25-13-7-4-8-14-25)17-18-29-19-21-30(22-20-29)23-24-11-5-3-6-12-24/h3-16,26H,2,17-23H2,1H3/p+1/t26-/m1/s1