1-(3-bromophenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C19H23BrN3S+ MolecularWeight: 405.37502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H22BrN3S/c20-17-8-5-9-18(12-17)22-19(24)21-13-15-6-1-2-7-16(15)14-23-10-3-4-11-23/h1-2,5-9,12H,3-4,10-11,13-14H2,(H2,21,22,24)/p+1