[(2S)-2-ethylhexyl]-[(3-methoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(3-methoxyphenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(3-methoxyphenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(3-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-m-anisyl-ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC(=CC=C1)OC

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC(=CC=C1)OC

InChI

InChI=1S/C16H27NO/c1-4-6-8-14(5-2)12-17-13-15-9-7-10-16(11-15)18-3/h7,9-11,14,17H,4-6,8,12-13H2,1-3H3/p+1/t14-/m0/s1