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1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
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Descriptors Computed from Structure
Canonical SMILES:
C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4
Isomeric SMILES
C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C26H28N2O/c1-3-9-23(10-4-1)12-8-16-27-17-19-28(20-18-27)22-24-11-7-15-26(21-24)29-25-13-5-2-6-14-25/h1-15,21H,16-20,22H2/p+1/b12-8+
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