1-(4-ethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(4-ethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)NC(=S)NCC2CCC[NH+]2CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC[C@@H]2CCC[NH+]2CC

InChI

InChI=1S/C16H25N3S/c1-3-13-7-9-14(10-8-13)18-16(20)17-12-15-6-5-11-19(15)4-2/h7-10,15H,3-6,11-12H2,1-2H3,(H2,17,18,20)/p+1/t15-/m0/s1