1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-[(3-fluoro-4-methyl-phenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea CAS Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea Traditional Name: 1-(3-fluoro-4-methyl-benzyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea Formula: C19H25FN3OS+ MolecularWeight: 362.484703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NCC(C2=CC=CS2)[NH+]3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)F

InChI

InChI=1S/C19H24FN3OS/c1-14-6-7-15(11-16(14)20)12-21-19(24)22-13-17(18-5-4-10-25-18)23-8-2-3-9-23/h4-7,10-11,17H,2-3,8-9,12-13H2,1H3,(H2,21,22,24)/p+1/t17-/m0/s1