ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[(4-chlorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(benzofurazan-4-ylmethyl)-4-(4-chlorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=NON=C32)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=NON=C32)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-2-28-21(27)22(14-16-6-8-18(23)9-7-16)10-12-26(13-11-22)15-17-4-3-5-19-20(17)25-29-24-19/h3-9H,2,10-15H2,1H3/p+1