3-(2-methoxyphenyl)-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(2-methoxyphenyl)-N-(2-tetrahydrothiopyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)propanamide CAS Name: 3-(2-methoxyphenyl)-N-[2-(4-thianyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(2-methoxyphenyl)-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(2-methoxyphenyl)-N-(2-tetrahydrothiopyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)propionamide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CC[NH+](C3)C4CCSCC4)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CC[NH+](C3)C4CCSCC4)C=C2

InChI

InChI=1S/C24H30N2O2S/c1-28-23-5-3-2-4-19(23)7-9-24(27)25-21-8-6-18-10-13-26(17-20(18)16-21)22-11-14-29-15-12-22/h2-6,8,16,22H,7,9-15,17H2,1H3,(H,25,27)/p+1