1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CO3

InChI

InChI=1S/C18H21ClN4O3S/c19-14-7-6-13(23(24)25)11-15(14)21-18(27)20-12-16(17-5-4-10-26-17)22-8-2-1-3-9-22/h4-7,10-11,16H,1-3,8-9,12H2,(H2,20,21,27)/p+1/t16-/m0/s1