(4-methylsulfanylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (4-methylsulfanylphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: [4-(methylthio)phenyl]methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: [4-(methylthio)benzyl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C16H20NOS+ MolecularWeight: 274.4011

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]C2CCCC3=C2C=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+][C@H]2CCCC3=C2C=CO3

InChI

InChI=1S/C16H19NOS/c1-19-13-7-5-12(6-8-13)11-17-15-3-2-4-16-14(15)9-10-18-16/h5-10,15,17H,2-4,11H2,1H3/p+1/t15-/m0/s1