1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-phenoxyphenyl)thiourea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-2-23-14-6-7-17(23)15-21-20(25)22-16-10-12-19(13-11-16)24-18-8-4-3-5-9-18/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H2,21,22,25)/p+1/t17-/m1/s1