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

Systemtic Name: 1-(3-bromophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H25BrN3S+ MolecularWeight: 419.4016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3S/c21-18-5-4-6-19(13-18)23-20(25)22-14-16-7-9-17(10-8-16)15-24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14-15H2,(H2,22,23,25)/p+1