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

Systemtic Name: ethyl 4-(phenylmethyl)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(phenylmethyl)-1-(5-quinoxalinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H28N3O2+ MolecularWeight: 390.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)N=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)N=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-2-29-23(28)24(17-19-7-4-3-5-8-19)11-15-27(16-12-24)18-20-9-6-10-21-22(20)26-14-13-25-21/h3-10,13-14H,2,11-12,15-18H2,1H3/p+1