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

Systemtic Name: 3-[[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]carbonylamino]propanoic acid chloride Openeye Name: 3-[[1-(2-piperidin-1-ium-4-ylethyl)indole-3-carbonyl]amino]propanoic acid chloride CAS Name: 3-[[oxo-[1-[2-(4-piperidin-1-iumyl)ethyl]-3-indolyl]methyl]amino]propanoic acid chloride IUPAC Name: 3-[[1-(2-piperidin-1-ium-4-ylethyl)indole-3-carbonyl]amino]propanoic acid chloride Traditional Name: 3-[[1-(2-piperidin-1-ium-4-ylethyl)indole-3-carbonyl]amino]propionic acid chloride Formula: C19H26ClN3O3 MolecularWeight: 379.88104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3.ClH/c23-18(24)7-11-21-19(25)16-13-22(17-4-2-1-3-15(16)17)12-8-14-5-9-20-10-6-14;/h1-4,13-14,20H,5-12H2,(H,21,25)(H,23,24);1H