2-piperazine-1,4-diium-1-ylethyl 1H-indol-1-ium-2-carboxylate trichloride

Systemtic Name: 2-piperazine-1,4-diium-1-ylethyl 1H-indol-1-ium-2-carboxylate trichloride Openeye Name: 2-piperazine-1,4-diium-1-ylethyl 1H-indol-1-ium-2-carboxylate trichloride CAS Name: 1H-indol-1-ium-2-carboxylic acid 2-(1-piperazine-1,4-diiumyl)ethyl ester trichloride IUPAC Name: 2-piperazine-1,4-diium-1-ylethyl 1H-indol-1-ium-2-carboxylate trichloride Traditional Name: 1H-indol-1-ium-2-carboxylic acid 2-piperazine-1,4-diium-1-ylethyl ester trichloride Formula: C15H22Cl3N3O2 MolecularWeight: 382.71308

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCOC(=O)C2=CC3=CC=CC=C3[NH2+]2.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCOC(=O)C2=CC3=CC=CC=C3[NH2+]2.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C15H19N3O2.3ClH/c19-15(20-10-9-18-7-5-16-6-8-18)14-11-12-3-1-2-4-13(12)17-14;;;/h1-4,11,16-17H,5-10H2;3*1H