1-(2-chloranyl-5-nitro-phenyl)-3-(1-ethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(1-ethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(1-ethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(1-ethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(1-ethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(1-ethylpiperidin-1-ium-4-yl)thiourea Formula: C14H20ClN4O2S+ MolecularWeight: 343.8522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H19ClN4O2S/c1-2-18-7-5-10(6-8-18)16-14(22)17-13-9-11(19(20)21)3-4-12(13)15/h3-4,9-10H,2,5-8H2,1H3,(H2,16,17,22)/p+1