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

Systemtic Name: 3-(2-methoxyphenyl)-N-[2-(3-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Openeye Name: 3-(2-methoxyphenyl)-N-[2-(3-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide CAS Name: 3-(2-methoxyphenyl)-N-[2-[3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide IUPAC Name: 3-(2-methoxyphenyl)-N-[2-(3-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propanamide Traditional Name: 3-(2-methoxyphenyl)-N-[2-[3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]propionamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-27-22-7-4-3-6-19(22)9-11-23(26)24-21-10-8-18-12-14-25(13-5-15-28-2)17-20(18)16-21/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3,(H,24,26)/p+1