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

Systemtic Name: 3-[2-ethoxycarbonyl-3-(phenylmethyl)indol-1-yl]propyl-dimethyl-azanium chloride Openeye Name: 3-(3-benzyl-2-ethoxycarbonyl-indol-1-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-[2-ethoxycarbonyl-3-(phenylmethyl)-1-indolyl]propyl-dimethylammonium chloride IUPAC Name: 3-(3-benzyl-2-ethoxycarbonylindol-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(3-benzyl-2-carbethoxy-indol-1-yl)propyl-dimethyl-ammonium chloride Formula: C23H29ClN2O2 MolecularWeight: 400.94156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CCC[NH+](C)C)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CCC[NH+](C)C)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H28N2O2.ClH/c1-4-27-23(26)22-20(17-18-11-6-5-7-12-18)19-13-8-9-14-21(19)25(22)16-10-15-24(2)3;/h5-9,11-14H,4,10,15-17H2,1-3H3;1H