1-(4-chlorophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3S/c21-18-8-10-19(11-9-18)23-20(25)22-14-16-4-6-17(7-5-16)15-24-12-2-1-3-13-24/h4-11H,1-3,12-15H2,(H2,22,23,25)/p+1