1-(2-methoxyethyl)-1-(piperidin-4-ylmethyl)indol-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-methoxyethyl)-1-(piperidin-4-ylmethyl)indol-1-ium-2-carboxylic acid Openeye Name: 1-(2-methoxyethyl)-1-(4-piperidylmethyl)indol-1-ium-2-carboxylic acid CAS Name: 1-(2-methoxyethyl)-1-(4-piperidinylmethyl)-2-indol-1-iumcarboxylic acid IUPAC Name: 1-(2-methoxyethyl)-1-(piperidin-4-ylmethyl)indol-1-ium-2-carboxylic acid Traditional Name: 1-(2-methoxyethyl)-1-(4-piperidylmethyl)indol-1-ium-2-carboxylic acid Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1(C2=CC=CC=C2C=C1C(=O)O)CC3CCNCC3

Isomeric SMILES

COCC[N+]1(C2=CC=CC=C2C=C1C(=O)O)CC3CCNCC3

InChI

InChI=1S/C18H24N2O3/c1-23-11-10-20(13-14-6-8-19-9-7-14)16-5-3-2-4-15(16)12-17(20)18(21)22/h2-5,12,14,19H,6-11,13H2,1H3/p+1