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1-[(S)-(3-methylphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazine
1-[(S)-(3-methylphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazine
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)C(C2=[N+](C=CN2)CC3=CC=CC=C3)N4CCNCC4
Isomeric SMILES
CC1=CC(=CC=C1)[C@@H](C2=[N+](C=CN2)CC3=CC=CC=C3)N4CCNCC4
InChI
InChI=1S/C22H26N4/c1-18-6-5-9-20(16-18)21(25-13-10-23-11-14-25)22-24-12-15-26(22)17-19-7-3-2-4-8-19/h2-9,12,15-16,21,23H,10-11,13-14,17H2,1H3/p+1/t21-/m0/s1
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