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

Systemtic Name: [(2S)-2-(3-methoxy-4-propoxy-phenyl)-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxy-phenyl)propyl]-isopropyl-ammonium CAS Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxyphenyl)propyl]-propan-2-ylammonium IUPAC Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxyphenyl)propyl]-propan-2-ylazanium Traditional Name: [(2S)-2-hydroxy-2-(3-methoxy-4-propoxy-phenyl)propyl]-isopropyl-ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3/c1-6-9-20-14-8-7-13(10-15(14)19-5)16(4,18)11-17-12(2)3/h7-8,10,12,17-18H,6,9,11H2,1-5H3/p+1/t16-/m1/s1