3-[2-(1H-imidazol-1-ium-1-yl)ethyl]-2,3-dihydro-1H-indol-1-ium-5-carboxylic acid dichloride

Systemtic Name: 3-[2-(1H-imidazol-1-ium-1-yl)ethyl]-2,3-dihydro-1H-indol-1-ium-5-carboxylic acid dichloride Openeye Name: 3-[2-(1H-imidazol-1-ium-1-yl)ethyl]indolin-1-ium-5-carboxylic acid dichloride CAS Name: 3-[2-(1H-imidazol-1-ium-1-yl)ethyl]-2,3-dihydro-1H-indol-1-ium-5-carboxylic acid dichloride IUPAC Name: 3-[2-(1H-imidazol-1-ium-1-yl)ethyl]-2,3-dihydro-1H-indol-1-ium-5-carboxylic acid dichloride Traditional Name: 3-[2-(1H-imidazol-1-ium-1-yl)ethyl]indolin-1-ium-5-carboxylic acid dichloride Formula: C14H17Cl2N3O2 MolecularWeight: 330.20968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C([NH2+]1)C=CC(=C2)C(=O)O)CC[NH+]3C=CN=C3.[Cl-].[Cl-]

Isomeric SMILES

C1C(C2=C([NH2+]1)C=CC(=C2)C(=O)O)CC[NH+]3C=CN=C3.[Cl-].[Cl-]

InChI

InChI=1S/C14H15N3O2.2ClH/c18-14(19)10-1-2-13-12(7-10)11(8-16-13)3-5-17-6-4-15-9-17;;/h1-2,4,6-7,9,11,16H,3,5,8H2,(H,18,19);2*1H