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

Systemtic Name: 4-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-methyl-2-(2-thienyl)thiazole-5-carboxamide CAS Name: 4-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-thiophen-2-yl-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-methyl-2-(2-thienyl)thiazole-5-carboxamide Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS2/c1-14-18(26-20(21-14)17-8-5-11-25-17)19(24)22-16-9-10-23(13-16)12-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,24)/p+1/t16-/m0/s1