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

Systemtic Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]butanoic acid chloride Openeye Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]butanoic acid chloride CAS Name: 3-[[1-oxo-3-[1-[2-(4-piperidin-1-iumyl)ethyl]-3-indolyl]propyl]amino]butanoic acid chloride IUPAC Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]butanoic acid chloride Traditional Name: 3-[3-[1-(2-piperidin-1-ium-4-ylethyl)indol-3-yl]propanoylamino]butyric acid chloride Formula: C22H32ClN3O3 MolecularWeight: 421.96078

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCC1=CN(C2=CC=CC=C21)CCC3CC[NH2+]CC3.[Cl-]

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCC1=CN(C2=CC=CC=C21)CCC3CC[NH2+]CC3.[Cl-]

InChI

InChI=1S/C22H31N3O3.ClH/c1-16(14-22(27)28)24-21(26)7-6-18-15-25(20-5-3-2-4-19(18)20)13-10-17-8-11-23-12-9-17;/h2-5,15-17,23H,6-14H2,1H3,(H,24,26)(H,27,28);1H