2-(4-fluorophenyl)-4-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-4-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-(4-fluorophenyl)-4-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxamide Formula: C22H23FN3OS+ MolecularWeight: 396.500923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22FN3OS/c1-15-20(28-22(24-15)17-7-9-18(23)10-8-17)21(27)25-19-11-12-26(14-19)13-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,25,27)/p+1/t19-/m0/s1