tert-butyl-[3-[(2-carboxy-1-benzothiophen-3-yl)oxy]-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[3-[(2-carboxy-1-benzothiophen-3-yl)oxy]-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[3-(2-carboxybenzothiophen-3-yl)oxy-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[3-[(2-carboxy-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[3-[(2-carboxy-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[3-(2-carboxybenzothiophen-3-yl)oxy-2-hydroxy-propyl]ammonium Formula: C16H22NO4S+ MolecularWeight: 324.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=C(SC2=CC=CC=C21)C(=O)O)O

Isomeric SMILES

CC(C)(C)[NH2+]CC(COC1=C(SC2=CC=CC=C21)C(=O)O)O

InChI

InChI=1S/C16H21NO4S/c1-16(2,3)17-8-10(18)9-21-13-11-6-4-5-7-12(11)22-14(13)15(19)20/h4-7,10,17-18H,8-9H2,1-3H3,(H,19,20)/p+1