1-(2-chloranyl-5-nitro-phenyl)-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thiourea Formula: C19H28ClN4O2S+ MolecularWeight: 411.96922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[NH+]3CCCCC3

InChI

InChI=1S/C19H27ClN4O2S/c20-16-8-7-15(24(25)26)13-17(16)22-18(27)21-14-19(9-3-1-4-10-19)23-11-5-2-6-12-23/h7-8,13H,1-6,9-12,14H2,(H2,21,22,27)/p+1