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2-(2,6-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide
2-(2,6-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C(=CC=C1)C)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3
Isomeric SMILES
CC1=C(C(=CC=C1)C)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3
InChI
InChI=1S/C22H28N2O2/c1-17-6-5-7-18(2)22(17)26-16-21(25)23-14-19-8-10-20(11-9-19)15-24-12-3-4-13-24/h5-11H,3-4,12-16H2,1-2H3,(H,23,25)/p+1
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