1-(2-methoxy-4-nitro-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-(1-propyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3S/c1-3-8-19-9-6-12(7-10-19)17-16(24)18-14-5-4-13(20(21)22)11-15(14)23-2/h4-5,11-12H,3,6-10H2,1-2H3,(H2,17,18,24)/p+1