(3-chloranyl-1-benzothiophen-2-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (3-chlorobenzothiophen-2-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (3-chloro-1-benzothiophen-2-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (3-chlorobenzothiophen-2-yl)methyl-[(1S)-1-(4-mesylphenyl)ethyl]ammonium Formula: C18H19ClNO2S2+ MolecularWeight: 380.93196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H18ClNO2S2/c1-12(13-7-9-14(10-8-13)24(2,21)22)20-11-17-18(19)15-5-3-4-6-16(15)23-17/h3-10,12,20H,11H2,1-2H3/p+1/t12-/m0/s1