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

Systemtic Name: 4-methyl-2-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-methyl-2-phenyl-thiazole-5-carboxamide CAS Name: 4-methyl-2-phenyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-methyl-2-phenyl-thiazole-5-carboxamide Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c1-16-20(27-22(23-16)18-10-6-3-7-11-18)21(26)24-19-12-13-25(15-19)14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,24,26)/p+1/t19-/m0/s1