methyl-[2-[(2-methylsulfanylethanoylamino)methyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylethanoylamino)methyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[[(2-methylsulfanylacetyl)amino]methyl]indan-2-yl]ammonium CAS Name: methyl-[2-[[[2-(methylthio)-1-oxoethyl]amino]methyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[[(2-methylsulfanylacetyl)amino]methyl]-1,3-dihydroinden-2-yl]azanium Traditional Name: benzyl-methyl-[2-[[[2-(methylthio)acetyl]amino]methyl]indan-2-yl]ammonium Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CSC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CSC

InChI

InChI=1S/C21H26N2OS/c1-23(14-17-8-4-3-5-9-17)21(16-22-20(24)15-25-2)12-18-10-6-7-11-19(18)13-21/h3-11H,12-16H2,1-2H3,(H,22,24)/p+1