cyclohexylmethyl-[(2R)-3-(3-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexylmethyl-[(2R)-3-(3-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexylmethyl-[(2R)-3-(3-ethoxycarbonylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: cyclohexylmethyl-[(2R)-3-(3-ethoxycarbonylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: cyclohexylmethyl-[(2R)-3-(3-ethoxycarbonylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2R)-3-(3-carbethoxyphenoxy)-2-hydroxy-propyl]-(cyclohexylmethyl)ammonium Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(C[NH2+]CC2CCCCC2)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OC[C@@H](C[NH2+]CC2CCCCC2)O

InChI

InChI=1S/C19H29NO4/c1-2-23-19(22)16-9-6-10-18(11-16)24-14-17(21)13-20-12-15-7-4-3-5-8-15/h6,9-11,15,17,20-21H,2-5,7-8,12-14H2,1H3/p+1/t17-/m1/s1