2-[di(propan-2-yl)amino]ethyl-[(2S)-3-(3-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-[di(propan-2-yl)amino]ethyl-[(2S)-3-(3-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-(diisopropylamino)ethyl-[(2S)-3-(3-ethoxycarbonylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: 2-[di(propan-2-yl)amino]ethyl-[(2S)-3-(3-ethoxycarbonylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: 2-[di(propan-2-yl)amino]ethyl-[(2S)-3-(3-ethoxycarbonylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(3-carbethoxyphenoxy)-2-hydroxy-propyl]-[2-(diisopropylamino)ethyl]ammonium Formula: C20H35N2O4+ MolecularWeight: 367.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(C[NH2+]CCN(C(C)C)C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O4/c1-6-25-20(24)17-8-7-9-19(12-17)26-14-18(23)13-21-10-11-22(15(2)3)16(4)5/h7-9,12,15-16,18,21,23H,6,10-11,13-14H2,1-5H3/p+1/t18-/m0/s1