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

Systemtic Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]propanoic acid chloride Openeye Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]propanoic acid chloride CAS Name: 3-[[1-oxo-3-[1-[2-(4-piperidin-1-iumyl)ethyl]-3-indolyl]propyl]amino]propanoic acid chloride IUPAC Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]propanoic acid chloride Traditional Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]propionic acid chloride Formula: C21H30ClN3O3 MolecularWeight: 407.9342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3.ClH/c25-20(23-13-9-21(26)27)6-5-17-15-24(19-4-2-1-3-18(17)19)14-10-16-7-11-22-12-8-16;/h1-4,15-16,22H,5-14H2,(H,23,25)(H,26,27);1H