[(2S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-hydroxypropyl]azanium Traditional Name: benzyl-[(2S)-3-(2,2-dimethylcoumaran-7-yl)oxy-2-hydroxy-propyl]ammonium Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC[C@H](C[NH2+]CC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H25NO3/c1-20(2)11-16-9-6-10-18(19(16)24-20)23-14-17(22)13-21-12-15-7-4-3-5-8-15/h3-10,17,21-22H,11-14H2,1-2H3/p+1/t17-/m0/s1