(3S)-2-(quinolin-8-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-(quinolin-8-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-(8-quinolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-(8-quinolinylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-(quinolin-8-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-(8-quinolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C20H20N3O+ MolecularWeight: 318.3923

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=CC=CC4=C3N=CC=C4)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=CC=CC4=C3N=CC=C4)C(=O)N

InChI

InChI=1S/C20H19N3O/c21-20(24)18-11-15-5-1-2-6-16(15)12-23(18)13-17-8-3-7-14-9-4-10-22-19(14)17/h1-10,18H,11-13H2,(H2,21,24)/p+1/t18-/m0/s1