tert-butyl-[(2S)-2-(7-ethanoyl-1-benzofuran-2-yl)-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-(7-ethanoyl-1-benzofuran-2-yl)-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-(7-acetylbenzofuran-2-yl)-2-hydroxy-ethyl]-tert-butyl-ammonium CAS Name: [(2S)-2-(7-acetyl-2-benzofuranyl)-2-hydroxyethyl]-tert-butylammonium IUPAC Name: [(2S)-2-(7-acetyl-1-benzofuran-2-yl)-2-hydroxyethyl]-tert-butylazanium Traditional Name: [(2S)-2-(7-acetylbenzofuran-2-yl)-2-hydroxy-ethyl]-tert-butyl-ammonium Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC2=C1OC(=C2)C(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CC(=O)C1=CC=CC2=C1OC(=C2)[C@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C16H21NO3/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4/h5-8,13,17,19H,9H2,1-4H3/p+1/t13-/m0/s1