(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H27N2OS2+ MolecularWeight: 375.57118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+](C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+](C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2OS2/c1-14(23)21-20-18(17-6-4-5-7-19(17)25-20)13-22(2)12-15-8-10-16(24-3)11-9-15/h8-11H,4-7,12-13H2,1-3H3,(H,21,23)/p+1