cyclopropylmethyl-[(2S)-3-(3-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]-propyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC(COC2=CC=CC(=C2)C(=O)OCC)O

Isomeric SMILES

CCC[NH+](CC1CC1)C[C@@H](COC2=CC=CC(=C2)C(=O)OCC)O

InChI

InChI=1S/C19H29NO4/c1-3-10-20(12-15-8-9-15)13-17(21)14-24-18-7-5-6-16(11-18)19(22)23-4-2/h5-7,11,15,17,21H,3-4,8-10,12-14H2,1-2H3/p+1/t17-/m0/s1