2-methoxyethyl-[(2S)-2-(3-methoxy-4-propoxy-phenyl)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-methoxyethyl-[(2S)-2-(3-methoxy-4-propoxy-phenyl)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxy-phenyl)propyl]-(2-methoxyethyl)ammonium CAS Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxyphenyl)propyl]-(2-methoxyethyl)ammonium IUPAC Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxyphenyl)propyl]-(2-methoxyethyl)azanium Traditional Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxy-phenyl)propyl]-(2-methoxyethyl)ammonium Formula: C16H28NO4+ MolecularWeight: 298.39782

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)(C[NH2+]CCOC)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@@](C)(C[NH2+]CCOC)O)OC

InChI

InChI=1S/C16H27NO4/c1-5-9-21-14-7-6-13(11-15(14)20-4)16(2,18)12-17-8-10-19-3/h6-7,11,17-18H,5,8-10,12H2,1-4H3/p+1/t16-/m1/s1