[3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(phenylmethyl)azanium chloride

Systemtic Name: [3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium chloride CAS Name: [3-[(3-ethoxycarbonyl-1,2-dimethyl-5-indolyl)oxy]-2-hydroxypropyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride Traditional Name: benzyl-[3-(3-carbethoxy-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium chloride Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C)C.[Cl-]

InChI

InChI=1S/C23H28N2O4.ClH/c1-4-28-23(27)22-16(2)25(3)21-11-10-19(12-20(21)22)29-15-18(26)14-24-13-17-8-6-5-7-9-17;/h5-12,18,24,26H,4,13-15H2,1-3H3;1H