ethyl 4-(2-phenoxyethyl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(2-quinolylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(2-quinolinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(2-quinolylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3C=C2)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3C=C2)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-2-30-25(29)26(16-19-31-23-9-4-3-5-10-23)14-17-28(18-15-26)20-22-13-12-21-8-6-7-11-24(21)27-22/h3-13H,2,14-20H2,1H3/p+1