1-(2,5-dimethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=S)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C16H25N3S/c1-4-19-9-5-6-14(19)11-17-16(20)18-15-10-12(2)7-8-13(15)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H2,17,18,20)/p+1/t14-/m0/s1