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1-(3-methylphenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea
1-(3-methylphenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)NC(=O)NCC(C2=CC=CS2)[NH+]3CCCC3
Isomeric SMILES
CC1=CC(=CC=C1)NC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3
InChI
InChI=1S/C18H23N3OS/c1-14-6-4-7-15(12-14)20-18(22)19-13-16(17-8-5-11-23-17)21-9-2-3-10-21/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H2,19,20,22)/p+1/t16-/m0/s1
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