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

Systemtic Name: 1-(phenylmethyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-benzyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(phenylmethyl)-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-benzyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-benzyl-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3S/c24-20(21-14-17-8-2-1-3-9-17)22-15-18-10-4-5-11-19(18)16-23-12-6-7-13-23/h1-5,8-11H,6-7,12-16H2,(H2,21,22,24)/p+1