2-piperazine-1,4-diium-1-ylethyl 1-phenylindole-2-carboxylate dichloride

Systemtic Name: 2-piperazine-1,4-diium-1-ylethyl 1-phenylindole-2-carboxylate dichloride Openeye Name: 2-piperazine-1,4-diium-1-ylethyl 1-phenylindole-2-carboxylate dichloride CAS Name: 1-phenyl-2-indolecarboxylic acid 2-(1-piperazine-1,4-diiumyl)ethyl ester dichloride IUPAC Name: 2-piperazine-1,4-diium-1-ylethyl 1-phenylindole-2-carboxylate dichloride Traditional Name: 1-phenylindole-2-carboxylic acid 2-piperazine-1,4-diium-1-ylethyl ester dichloride Formula: C21H25Cl2N3O2 MolecularWeight: 422.3481

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C21H23N3O2.2ClH/c25-21(26-15-14-23-12-10-22-11-13-23)20-16-17-6-4-5-9-19(17)24(20)18-7-2-1-3-8-18;;/h1-9,16,22H,10-15H2;2*1H