1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea Formula: C17H27ClN3S+ MolecularWeight: 340.93438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCCC[NH+]2CCCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCCC[NH+]2CCCCC2)C

InChI

InChI=1S/C17H26ClN3S/c1-13-11-14(2)16(15(18)12-13)20-17(22)19-7-6-10-21-8-4-3-5-9-21/h11-12H,3-10H2,1-2H3,(H2,19,20,22)/p+1