[(1S)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(1S)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-(3-oxidanylpropyl)azanium Openeye Name: [(1S)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-(3-hydroxypropyl)ammonium CAS Name: [(1S)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-(3-hydroxypropyl)ammonium IUPAC Name: [(1S)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-(3-hydroxypropyl)azanium Traditional Name: [(1S)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-(3-hydroxypropyl)ammonium Formula: C12H20NO3+ MolecularWeight: 226.2921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3/c1-9(13-6-3-7-14)10-4-5-11(15)12(8-10)16-2/h4-5,8-9,13-15H,3,6-7H2,1-2H3/p+1/t9-/m0/s1