1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Formula: C18H28ClN4O3S2+ MolecularWeight: 448.02292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H27ClN4O3S2/c1-2-22-7-3-4-14(22)13-20-18(27)21-17-12-15(5-6-16(17)19)28(24,25)23-8-10-26-11-9-23/h5-6,12,14H,2-4,7-11,13H2,1H3,(H2,20,21,27)/p+1/t14-/m0/s1