ethyl 4-(2-phenoxyethyl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(8-quinolylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(8-quinolinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(8-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=CC=CC3=C2N=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=C2N=CC=C3)CCOC4=CC=CC=C4

InChI

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