2-piperidin-1-ium-1-ylethyl 1H-indol-1-ium-2-carboxylate dichloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 1H-indol-1-ium-2-carboxylate dichloride Openeye Name: 2-piperidin-1-ium-1-ylethyl 1H-indol-1-ium-2-carboxylate dichloride CAS Name: 1H-indol-1-ium-2-carboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester dichloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl 1H-indol-1-ium-2-carboxylate dichloride Traditional Name: 1H-indol-1-ium-2-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester dichloride Formula: C16H22Cl2N2O2 MolecularWeight: 345.26408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC3=CC=CC=C3[NH2+]2.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC3=CC=CC=C3[NH2+]2.[Cl-].[Cl-]

InChI

InChI=1S/C16H20N2O2.2ClH/c19-16(20-11-10-18-8-4-1-5-9-18)15-12-13-6-2-3-7-14(13)17-15;;/h2-3,6-7,12,17H,1,4-5,8-11H2;2*1H