2-piperidin-1-ium-1-ylethyl 1-(phenylmethyl)indole-2-carboxylate chloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 1-(phenylmethyl)indole-2-carboxylate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl 1-benzylindole-2-carboxylate chloride CAS Name: 1-(phenylmethyl)-2-indolecarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl 1-benzylindole-2-carboxylate chloride Traditional Name: 1-benzylindole-2-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H26N2O2.ClH/c26-23(27-16-15-24-13-7-2-8-14-24)22-17-20-11-5-6-12-21(20)25(22)18-19-9-3-1-4-10-19;/h1,3-6,9-12,17H,2,7-8,13-16,18H2;1H