N-(2-tert-butylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C23H31N2OS+ MolecularWeight: 383.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H30N2OS/c1-23(2,3)27-15-13-24-22(26)20-10-8-18(9-11-20)16-25-14-12-19-6-4-5-7-21(19)17-25/h4-11H,12-17H2,1-3H3,(H,24,26)/p+1