1-(2-chloranyl-5-nitro-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Formula: C16H24ClN4O2S+ MolecularWeight: 371.90536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H23ClN4O2S/c1-12-5-2-3-9-20(12)10-4-8-18-16(24)19-15-11-13(21(22)23)6-7-14(15)17/h6-7,11-12H,2-5,8-10H2,1H3,(H2,18,19,24)/p+1/t12-/m0/s1