methyl 1-(2-hydroxyethyl)-1-methyl-2-piperidin-4-yl-indol-1-ium-3-carboxylate

Systemtic Name: methyl 1-(2-hydroxyethyl)-1-methyl-2-piperidin-4-yl-indol-1-ium-3-carboxylate Openeye Name: methyl 1-(2-hydroxyethyl)-1-methyl-2-(4-piperidyl)indol-1-ium-3-carboxylate CAS Name: 1-(2-hydroxyethyl)-1-methyl-2-(4-piperidinyl)-3-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-hydroxyethyl)-1-methyl-2-piperidin-4-ylindol-1-ium-3-carboxylate Traditional Name: 1-(2-hydroxyethyl)-1-methyl-2-(4-piperidyl)indol-1-ium-3-carboxylic acid methyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C(=C1C3CCNCC3)C(=O)OC)CCO

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C(=C1C3CCNCC3)C(=O)OC)CCO

InChI

InChI=1S/C18H25N2O3/c1-20(11-12-21)15-6-4-3-5-14(15)16(18(22)23-2)17(20)13-7-9-19-10-8-13/h3-6,13,19,21H,7-12H2,1-2H3/q+1