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(3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine
(3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine
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Descriptors Computed from Structure
Canonical SMILES:
CCCN1C(=C(C=N1)CNC2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C
Isomeric SMILES
CCCN1C(=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C
InChI
InChI=1S/C21H32N4O/c1-4-10-25-17(2)19(14-23-25)13-22-20-8-6-11-24(16-20)15-18-7-5-9-21(12-18)26-3/h5,7,9,12,14,20,22H,4,6,8,10-11,13,15-16H2,1-3H3/p+1/t20-/m0/s1
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