ethyl 1-[(3-methylquinoxalin-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-methylquinoxalin-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-methyl-2-quinoxalinyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(3-methylquinoxalin-2-yl)methyl]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=NC3=CC=CC=C3N=C2C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N=C2C)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-3-30-24(29)25(17-20-9-5-4-6-10-20)13-15-28(16-14-25)18-23-19(2)26-21-11-7-8-12-22(21)27-23/h4-12H,3,13-18H2,1-2H3/p+1