(2R)-N-[2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]oxolane-2-carboxamide

Systemtic Name: (2R)-N-[2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]oxolane-2-carboxamide Openeye Name: (2R)-N-[2-(3-thienylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-[2-(3-thiophenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-oxolanecarboxamide IUPAC Name: (2R)-N-[2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]oxolane-2-carboxamide Traditional Name: (2R)-N-[2-(3-thenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]tetrahydrofuran-2-carboxamide Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=CC3=C(CC[NH+](C3)CC4=CSC=C4)C=C2

Isomeric SMILES

C1C[C@@H](OC1)C(=O)NC2=CC3=C(CC[NH+](C3)CC4=CSC=C4)C=C2

InChI

InChI=1S/C19H22N2O2S/c22-19(18-2-1-8-23-18)20-17-4-3-15-5-7-21(12-16(15)10-17)11-14-6-9-24-13-14/h3-4,6,9-10,13,18H,1-2,5,7-8,11-12H2,(H,20,22)/p+1/t18-/m1/s1