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(3S)-N-cyclopropyl-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
(3S)-N-cyclopropyl-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(S1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4
Isomeric SMILES
CC1=CC=C(S1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4
InChI
InChI=1S/C20H31N3OS/c1-15-4-7-19(25-15)14-22-11-8-18(9-12-22)23-10-2-3-16(13-23)20(24)21-17-5-6-17/h4,7,16-18H,2-3,5-6,8-14H2,1H3,(H,21,24)/p+2/t16-/m0/s1
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