3-[2-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]ethanoylamino]propanoic acid chloride

Systemtic Name: 3-[2-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]ethanoylamino]propanoic acid chloride Openeye Name: 3-[[2-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid chloride CAS Name: 3-[[1-oxo-2-[1-[2-(4-piperidin-1-iumyl)ethyl]-3-indolyl]ethyl]amino]propanoic acid chloride IUPAC Name: 3-[[2-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid chloride Traditional Name: 3-[[2-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]acetyl]amino]propionic acid chloride Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CCN2C=C(C3=CC=CC=C32)CC(=O)NCCC(=O)O.[Cl-]

Isomeric SMILES

C1C[NH2+]CCC1CCN2C=C(C3=CC=CC=C32)CC(=O)NCCC(=O)O.[Cl-]

InChI

InChI=1S/C20H27N3O3.ClH/c24-19(22-11-7-20(25)26)13-16-14-23(18-4-2-1-3-17(16)18)12-8-15-5-9-21-10-6-15;/h1-4,14-15,21H,5-13H2,(H,22,24)(H,25,26);1H