2-[di(propan-2-yl)amino]ethyl-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]azanium

Systemtic Name: 2-[di(propan-2-yl)amino]ethyl-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]azanium Openeye Name: 2-(diisopropylamino)ethyl-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]ammonium CAS Name: 2-[di(propan-2-yl)amino]ethyl-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]ammonium IUPAC Name: 2-[di(propan-2-yl)amino]ethyl-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]azanium Traditional Name: 2-(diisopropylamino)ethyl-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]ammonium Formula: C18H33N2O+ MolecularWeight: 293.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC[NH2+]C(C)CCC1=CC=C(C=C1)O)C(C)C

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH2+]CCN(C(C)C)C(C)C

InChI

InChI=1S/C18H32N2O/c1-14(2)20(15(3)4)13-12-19-16(5)6-7-17-8-10-18(21)11-9-17/h8-11,14-16,19,21H,6-7,12-13H2,1-5H3/p+1/t16-/m1/s1