ethyl 4-(2-phenoxyethyl)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(5-quinoxalinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)N=CC=N3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)N=CC=N3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-2-30-24(29)25(13-18-31-21-8-4-3-5-9-21)11-16-28(17-12-25)19-20-7-6-10-22-23(20)27-15-14-26-22/h3-10,14-15H,2,11-13,16-19H2,1H3/p+1