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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(1-methylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(1-methylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-(1-methyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(1-methylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(1-methylpiperidin-1-ium-4-yl)thiourea Formula: C14H21ClN3S+ MolecularWeight: 298.85464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C14H20ClN3S/c1-10-3-4-12(9-13(10)15)17-14(19)16-11-5-7-18(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H2,16,17,19)/p+1