ethyl 1-[(6-acetamidoquinolin-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-acetamidoquinolin-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-acetamido-2-quinolyl)methyl]-4-benzyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-acetamido-2-quinolinyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-acetamidoquinolin-2-yl)methyl]-4-benzylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-acetamido-2-quinolyl)methyl]-4-benzyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=C2)C=C(C=C3)NC(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=C2)C=C(C=C3)NC(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-3-33-26(32)27(18-21-7-5-4-6-8-21)13-15-30(16-14-27)19-24-10-9-22-17-23(28-20(2)31)11-12-25(22)29-24/h4-12,17H,3,13-16,18-19H2,1-2H3,(H,28,31)/p+1