tert-butyl-[(2S)-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]propyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]propyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]propyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]propyl]ammonium Formula: C17H30NO4+ MolecularWeight: 312.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(C)(C1=CC(=C(C=C1)OCCOC)OC)O

Isomeric SMILES

C[C@@](C[NH2+]C(C)(C)C)(C1=CC(=C(C=C1)OCCOC)OC)O

InChI

InChI=1S/C17H29NO4/c1-16(2,3)18-12-17(4,19)13-7-8-14(15(11-13)21-6)22-10-9-20-5/h7-8,11,18-19H,9-10,12H2,1-6H3/p+1/t17-/m1/s1