[(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-oxidanyl-ethyl]-(2-methoxyethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C[NH2+]CCOC)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H](C[NH2+]CCOC)O)OC

InChI

InChI=1S/C16H27NO4/c1-4-5-9-21-15-7-6-13(11-16(15)20-3)14(18)12-17-8-10-19-2/h6-7,11,14,17-18H,4-5,8-10,12H2,1-3H3/p+1/t14-/m1/s1