tert-butyl-[(2S)-3-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2S)-3-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2S)-3-(4,7-dimethyl-2-oxo-chromen-6-yl)oxy-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[(2S)-3-[(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)oxy]-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[(2S)-3-(4,7-dimethyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-3-(2-keto-4,7-dimethyl-chromen-6-yl)oxy-propyl]ammonium Formula: C18H26NO4+ MolecularWeight: 320.40334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(C[NH2+]C(C)(C)C)O)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OC[C@H](C[NH2+]C(C)(C)C)O)C

InChI

InChI=1S/C18H25NO4/c1-11-7-17(21)23-16-6-12(2)15(8-14(11)16)22-10-13(20)9-19-18(3,4)5/h6-8,13,19-20H,9-10H2,1-5H3/p+1/t13-/m0/s1