(3S)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxidanyl-butan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide chloride

Systemtic Name: (3S)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxidanyl-butan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide chloride Openeye Name: (3S)-N-[(1S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide chloride CAS Name: (3S)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide chloride IUPAC Name: (3S)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide chloride Traditional Name: (3S)-N-[(1S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide chloride Formula: C21H31ClN4O3 MolecularWeight: 422.94884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=NN=C(O1)C(C)(C)C)O)NC(=O)C2CC3=CC=CC=C3C[NH2+]2.[Cl-]

Isomeric SMILES

CC(C)[C@@H](C(C1=NN=C(O1)C(C)(C)C)O)NC(=O)[C@@H]2CC3=CC=CC=C3C[NH2+]2.[Cl-]

InChI

InChI=1S/C21H30N4O3.ClH/c1-12(2)16(17(26)19-24-25-20(28-19)21(3,4)5)23-18(27)15-10-13-8-6-7-9-14(13)11-22-15;/h6-9,12,15-17,22,26H,10-11H2,1-5H3,(H,23,27);1H/t15-,16-,17?;/m0./s1