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

Systemtic Name: 1-phenethyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-phenethyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-phenethyl-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-phenethyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-phenethyl-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c25-21(22-13-12-18-8-2-1-3-9-18)23-16-19-10-4-5-11-20(19)17-24-14-6-7-15-24/h1-5,8-11H,6-7,12-17H2,(H2,22,23,25)/p+1