(3S)-N-[(1R)-1-azanyl-2-oxidanyl-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[(1R)-1-azanyl-2-oxidanyl-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-[(1R)-1-amino-2-hydroxy-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-[(1R)-1-amino-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-[(1R)-1-amino-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-[(1R)-1-amino-2-hydroxy-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)NC(CO)N

Isomeric SMILES

C1[C@H](NCC2=CC=CC=C21)C(=O)N[C@H](CO)N

InChI

InChI=1S/C12H17N3O2/c13-11(7-16)15-12(17)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10-11,14,16H,5-7,13H2,(H,15,17)/t10-,11+/m0/s1