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

Systemtic Name: [3-(3-ethoxycarbonyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [3-(3-ethoxycarbonyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium chloride CAS Name: [3-[(3-ethoxycarbonyl-2-methyl-1-phenyl-5-indolyl)oxy]-2-hydroxypropyl]-propan-2-ylammonium chloride IUPAC Name: [3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride Traditional Name: [3-(3-carbethoxy-2-methyl-1-phenyl-indol-5-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium chloride Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4.ClH/c1-5-29-24(28)23-17(4)26(18-9-7-6-8-10-18)22-12-11-20(13-21(22)23)30-15-19(27)14-25-16(2)3;/h6-13,16,19,25,27H,5,14-15H2,1-4H3;1H