(2S)-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]oxolane-2-carboxamide

Systemtic Name: (2S)-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]oxolane-2-carboxamide Openeye Name: (2S)-N-(2-tetrahydrothiopyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)tetrahydrofuran-2-carboxamide CAS Name: (2S)-N-[2-(4-thianyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-oxolanecarboxamide IUPAC Name: (2S)-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]oxolane-2-carboxamide Traditional Name: (2S)-N-(2-tetrahydrothiopyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)tetrahydrofuran-2-carboxamide Formula: C19H27N2O2S+ MolecularWeight: 347.49488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=CC3=C(CC[NH+](C3)C4CCSCC4)C=C2

Isomeric SMILES

C1C[C@H](OC1)C(=O)NC2=CC3=C(CC[NH+](C3)C4CCSCC4)C=C2

InChI

InChI=1S/C19H26N2O2S/c22-19(18-2-1-9-23-18)20-16-4-3-14-5-8-21(13-15(14)12-16)17-6-10-24-11-7-17/h3-4,12,17-18H,1-2,5-11,13H2,(H,20,22)/p+1/t18-/m0/s1