ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(benzofurazan-4-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=NON=C32)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=NON=C32)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4/c1-2-28-22(27)23(13-16-29-19-8-4-3-5-9-19)11-14-26(15-12-23)17-18-7-6-10-20-21(18)25-30-24-20/h3-10H,2,11-17H2,1H3/p+1