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

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl 1-(phenylmethyl)indole-2-carboxylate chloride Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl 1-benzylindole-2-carboxylate chloride CAS Name: 1-(phenylmethyl)-2-indolecarboxylic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl 1-benzylindole-2-carboxylate chloride Traditional Name: 1-benzylindole-2-carboxylic acid 2-pyrrolidin-1-ium-1-ylethyl ester chloride Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H24N2O2.ClH/c25-22(26-15-14-23-12-6-7-13-23)21-16-19-10-4-5-11-20(19)24(21)17-18-8-2-1-3-9-18;/h1-5,8-11,16H,6-7,12-15,17H2;1H