2-[[(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]amino]ethyl-diisopropyl-ammonium Formula: C17H31N2O2+ MolecularWeight: 295.44024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(C)C1=C(C=C(C=C1)OC)O)C(C)C

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)OC)O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C17H30N2O2/c1-12(2)19(13(3)4)10-9-18-14(5)16-8-7-15(21-6)11-17(16)20/h7-8,11-14,18,20H,9-10H2,1-6H3/p+1/t14-/m0/s1