(2S)-1-(2,4-dimethylphenoxy)-3-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]propan-2-ol

Systemtic Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]propan-2-ol Openeye Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-isopropylpiperidin-1-ium-4-yl)amino]propan-2-ol CAS Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]-2-propanol IUPAC Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]propan-2-ol Traditional Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-isopropylpiperidin-1-ium-4-yl)amino]propan-2-ol Formula: C19H33N2O2+ MolecularWeight: 321.47752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CNC2CC[NH+](CC2)C(C)C)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](CNC2CC[NH+](CC2)C(C)C)O)C

InChI

InChI=1S/C19H32N2O2/c1-14(2)21-9-7-17(8-10-21)20-12-18(22)13-23-19-6-5-15(3)11-16(19)4/h5-6,11,14,17-18,20,22H,7-10,12-13H2,1-4H3/p+1/t18-/m0/s1