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

Systemtic Name: [(2S)-2-(3-butoxy-4-methoxy-phenyl)-2-oxidanyl-ethyl]-propyl-azanium Openeye Name: [(2S)-2-(3-butoxy-4-methoxy-phenyl)-2-hydroxy-ethyl]-propyl-ammonium CAS Name: [(2S)-2-(3-butoxy-4-methoxyphenyl)-2-hydroxyethyl]-propylammonium IUPAC Name: [(2S)-2-(3-butoxy-4-methoxyphenyl)-2-hydroxyethyl]-propylazanium Traditional Name: [(2S)-2-(3-butoxy-4-methoxy-phenyl)-2-hydroxy-ethyl]-propyl-ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3/c1-4-6-10-20-16-11-13(7-8-15(16)19-3)14(18)12-17-9-5-2/h7-8,11,14,17-18H,4-6,9-10,12H2,1-3H3/p+1/t14-/m1/s1