1-(3-chloranyl-4-methyl-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-(1-propyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Formula: C16H25ClN3S+ MolecularWeight: 326.9078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3S/c1-3-8-20-9-6-13(7-10-20)18-16(21)19-14-5-4-12(2)15(17)11-14/h4-5,11,13H,3,6-10H2,1-2H3,(H2,18,19,21)/p+1