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

Systemtic Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-oxidanyl-ethyl]-methyl-azanium Openeye Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-ethyl]-methyl-ammonium CAS Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxyethyl]-methylammonium IUPAC Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxyethyl]-methylazanium Traditional Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-ethyl]-methyl-ammonium Formula: C14H24NO3+ MolecularWeight: 254.34526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO3/c1-4-5-8-18-13-7-6-11(9-14(13)17-3)12(16)10-15-2/h6-7,9,12,15-16H,4-5,8,10H2,1-3H3/p+1/t12-/m1/s1