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

Systemtic Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]butanoic acid chloride Openeye Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]butanoic acid chloride CAS Name: 3-[[1-oxo-3-[1-[3-(4-piperidin-1-iumyl)propyl]-3-indolyl]propyl]amino]butanoic acid chloride IUPAC Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]butanoic acid chloride Traditional Name: 3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]butyric acid chloride Formula: C23H34ClN3O3 MolecularWeight: 435.98736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCC1=CN(C2=CC=CC=C21)CCCC3CC[NH2+]CC3.[Cl-]

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCC1=CN(C2=CC=CC=C21)CCCC3CC[NH2+]CC3.[Cl-]

InChI

InChI=1S/C23H33N3O3.ClH/c1-17(15-23(28)29)25-22(27)9-8-19-16-26(21-7-3-2-6-20(19)21)14-4-5-18-10-12-24-13-11-18;/h2-3,6-7,16-18,24H,4-5,8-15H2,1H3,(H,25,27)(H,28,29);1H