3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]propanoic acid chloride

Systemtic Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]propanoic acid chloride Openeye Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]propanoic acid chloride CAS Name: 3-[[1-oxo-3-[1-[3-(4-piperidin-1-iumyl)propyl]-3-indolyl]propyl]amino]propanoic acid chloride IUPAC Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]propanoic acid chloride Traditional Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]propionic acid chloride Formula: C22H32ClN3O3 MolecularWeight: 421.96078

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CCCN2C=C(C3=CC=CC=C32)CCC(=O)NCCC(=O)O.[Cl-]

Isomeric SMILES

C1C[NH2+]CCC1CCCN2C=C(C3=CC=CC=C32)CCC(=O)NCCC(=O)O.[Cl-]

InChI

InChI=1S/C22H31N3O3.ClH/c26-21(24-14-11-22(27)28)8-7-18-16-25(20-6-2-1-5-19(18)20)15-3-4-17-9-12-23-13-10-17;/h1-2,5-6,16-17,23H,3-4,7-15H2,(H,24,26)(H,27,28);1H