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

Systemtic Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]propan-2-ol Openeye Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]propan-2-ol CAS Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-ethyl-4-piperidin-1-iumyl)amino]-2-propanol IUPAC Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]propan-2-ol Traditional Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(1-ethylpiperidin-1-ium-4-yl)amino]propan-2-ol Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NCC(COC2=C(C=C(C=C2)C)C)O

Isomeric SMILES

CC[NH+]1CCC(CC1)NC[C@@H](COC2=C(C=C(C=C2)C)C)O

InChI

InChI=1S/C18H30N2O2/c1-4-20-9-7-16(8-10-20)19-12-17(21)13-22-18-6-5-14(2)11-15(18)3/h5-6,11,16-17,19,21H,4,7-10,12-13H2,1-3H3/p+1/t17-/m0/s1