3-methyl-5-(methylamino)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-methyl-5-(methylamino)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2-thiazole-4-carboxamide Openeye Name: 3-methyl-5-(methylamino)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]isothiazole-4-carboxamide CAS Name: 3-methyl-5-(methylamino)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-isothiazolecarboxamide IUPAC Name: 3-methyl-5-(methylamino)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1,2-thiazole-4-carboxamide Traditional Name: 3-methyl-5-(methylamino)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]isothiazole-4-carboxamide Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)NCC(C2=CC=CC=C2)[NH+]3CCCC3)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)NC[C@@H](C2=CC=CC=C2)[NH+]3CCCC3)NC

InChI

InChI=1S/C18H24N4OS/c1-13-16(18(19-2)24-21-13)17(23)20-12-15(22-10-6-7-11-22)14-8-4-3-5-9-14/h3-5,8-9,15,19H,6-7,10-12H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1