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

Systemtic Name: (3S)-1-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-1-ium-3-carboxamide Openeye Name: (3S)-1-methyl-N-[(2-phenylthiazol-5-yl)methyl]pyrrolidin-1-ium-3-carboxamide CAS Name: (3S)-1-methyl-N-[(2-phenyl-5-thiazolyl)methyl]-3-pyrrolidin-1-iumcarboxamide IUPAC Name: (3S)-1-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-1-ium-3-carboxamide Traditional Name: (3S)-1-methyl-N-[(2-phenylthiazol-5-yl)methyl]pyrrolidin-1-ium-3-carboxamide Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1)C(=O)NCC2=CN=C(S2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[C@@H](C1)C(=O)NCC2=CN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3OS/c1-19-8-7-13(11-19)15(20)17-9-14-10-18-16(21-14)12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,17,20)/p+1/t13-/m0/s1