3-ethyl-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)-1,2-dihydroindol-1-ium dichloride

Systemtic Name: 3-ethyl-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)-1,2-dihydroindol-1-ium dichloride Openeye Name: 3-ethyl-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indolin-1-ium dichloride CAS Name: 3-ethyl-3-phenyl-1-[3-(1-piperidin-1-iumyl)propyl]-1,2-dihydroindol-1-ium dichloride IUPAC Name: 3-ethyl-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)-1,2-dihydroindol-1-ium dichloride Traditional Name: 3-ethyl-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indolin-1-ium dichloride Formula: C24H34Cl2N2 MolecularWeight: 421.44616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[NH+](C2=CC=CC=C21)CCC[NH+]3CCCCC3)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

CCC1(C[NH+](C2=CC=CC=C21)CCC[NH+]3CCCCC3)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C24H32N2.2ClH/c1-2-24(21-12-5-3-6-13-21)20-26(23-15-8-7-14-22(23)24)19-11-18-25-16-9-4-10-17-25;;/h3,5-8,12-15H,2,4,9-11,16-20H2,1H3;2*1H