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

Systemtic Name: [3-(3-ethoxycarbonyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium chloride CAS Name: [3-[(3-ethoxycarbonyl-2-methyl-1-phenyl-5-indolyl)oxy]-2-hydroxypropyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride Traditional Name: benzyl-[3-(3-carbethoxy-2-methyl-1-phenyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium chloride Formula: C28H31ClN2O4 MolecularWeight: 495.00974

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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)C4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C28H30N2O4.ClH/c1-3-33-28(32)27-20(2)30(22-12-8-5-9-13-22)26-15-14-24(16-25(26)27)34-19-23(31)18-29-17-21-10-6-4-7-11-21;/h4-16,23,29,31H,3,17-19H2,1-2H3;1H