(3-chloranyl-1-benzothiophen-2-yl)methyl-[(2S)-3,3-dimethyl-1-oxidanyl-butan-2-yl]azanium

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl-[(2S)-3,3-dimethyl-1-oxidanyl-butan-2-yl]azanium Openeye Name: (3-chlorobenzothiophen-2-yl)methyl-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]ammonium CAS Name: (3-chloro-1-benzothiophen-2-yl)methyl-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]ammonium IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]azanium Traditional Name: (3-chlorobenzothiophen-2-yl)methyl-[(1S)-2,2-dimethyl-1-methylol-propyl]ammonium Formula: C15H21ClNOS+ MolecularWeight: 298.85134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)[NH2+]CC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)(C)[C@@H](CO)[NH2+]CC1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C15H20ClNOS/c1-15(2,3)13(9-18)17-8-12-14(16)10-6-4-5-7-11(10)19-12/h4-7,13,17-18H,8-9H2,1-3H3/p+1/t13-/m1/s1