(3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-(4-hydroxy-3,5-dimethoxy-benzyl)ammonium Formula: C17H30NO3+ MolecularWeight: 296.425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO3/c1-5-7-8-13(6-2)11-18-12-14-9-15(20-3)17(19)16(10-14)21-4/h9-10,13,18-19H,5-8,11-12H2,1-4H3/p+1/t13-/m0/s1