[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium Openeye Name: [(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: [(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: [(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: [(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(C[NH2+]CC2=CC=CO2)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@H](C[NH2+]CC2=CC=CO2)O)C

InChI

InChI=1S/C16H21NO3/c1-12-5-6-15(8-13(12)2)20-11-14(18)9-17-10-16-4-3-7-19-16/h3-8,14,17-18H,9-11H2,1-2H3/p+1/t14-/m0/s1