(3R)-N-(3-imidazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(3-imidazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(3-imidazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[3-(1-imidazolyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(3-imidazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(3-imidazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C16H20N4O/c21-16(18-6-3-8-20-9-7-17-12-20)15-10-13-4-1-2-5-14(13)11-19-15/h1-2,4-5,7,9,12,15,19H,3,6,8,10-11H2,(H,18,21)/p+1/t15-/m1/s1