(3S)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-methyl-N-(thiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-methyl-N-(2-thiazolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-methyl-N-(thiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C15H18N3OS+ MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2=CC=CC=C2CC1C(=O)NCC3=NC=CS3

Isomeric SMILES

C[NH+]1CC2=CC=CC=C2C[C@H]1C(=O)NCC3=NC=CS3

InChI

InChI=1S/C15H17N3OS/c1-18-10-12-5-3-2-4-11(12)8-13(18)15(19)17-9-14-16-6-7-20-14/h2-7,13H,8-10H2,1H3,(H,17,19)/p+1/t13-/m0/s1