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

Systemtic Name: ethyl 4-phenethyl-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-phenethyl-1-(5-quinoxalinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-phenethyl-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)N=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)N=CC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-2-30-24(29)25(12-11-20-7-4-3-5-8-20)13-17-28(18-14-25)19-21-9-6-10-22-23(21)27-16-15-26-22/h3-10,15-16H,2,11-14,17-19H2,1H3/p+1