[(1S,2S)-1-(3,4-diethoxyphenyl)-2-methyl-pentyl]azanium

Systemtic Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-methyl-pentyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C1=CC(=C(C=C1)OCC)OCC)[NH3+]

Isomeric SMILES

CCC[C@H](C)[C@@H](C1=CC(=C(C=C1)OCC)OCC)[NH3+]

InChI

InChI=1S/C16H27NO2/c1-5-8-12(4)16(17)13-9-10-14(18-6-2)15(11-13)19-7-3/h9-12,16H,5-8,17H2,1-4H3/p+1/t12-,16-/m0/s1