(2S)-1-(2-methylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(2-methylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-isobutyl-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-(2-methylpropyl)-N-[4-(4-thiazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(2-methylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-isobutyl-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCCC1C(=O)NC2=CC=C(C=C2)C3=CSC=N3

Isomeric SMILES

CC(C)C[NH+]1CCC[C@H]1C(=O)NC2=CC=C(C=C2)C3=CSC=N3

InChI

InChI=1S/C18H23N3OS/c1-13(2)10-21-9-3-4-17(21)18(22)20-15-7-5-14(6-8-15)16-11-23-12-19-16/h5-8,11-13,17H,3-4,9-10H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1