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4-[[5-[(3-phenylpropylamino)methyl]imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride
4-[[5-[(3-phenylpropylamino)methyl]imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)CCCNCC2=CN=CN2CC3=CC=C(C=C3)C#N.Cl
Isomeric SMILES
C1=CC=C(C=C1)CCCNCC2=CN=CN2CC3=CC=C(C=C3)C#N.Cl
InChI
InChI=1S/C21H22N4.ClH/c22-13-19-8-10-20(11-9-19)16-25-17-24-15-21(25)14-23-12-4-7-18-5-2-1-3-6-18;/h1-3,5-6,8-11,15,17,23H,4,7,12,14,16H2;1H
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- [1-(3-chlorophenyl)pyrrolidin-1-ium-1-yl]methyl pyridine-2-carboxylate
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