tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-oxidanyl-2-phenyl-ethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-oxidanyl-2-phenyl-ethyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-hydroxy-2-phenyl-ethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-hydroxy-2-phenylethyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-hydroxy-2-phenylethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-hydroxy-2-phenyl-ethyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC(C2=CC=CC=C2)O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC(C2=CC=CC=C2)O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H33N4O3/c1-25(2,3)32-24(31)29(28-23-26-20-11-7-8-12-21(20)27-23)15-13-18(14-16-29)17-22(30)19-9-5-4-6-10-19/h4-12,18,22,30H,13-17H2,1-3H3,(H2,26,27,28)/q+1