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

Systemtic Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-methoxy-2-phenyl-ethyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-methoxy-2-phenyl-ethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-methoxy-2-phenylethyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-methoxy-2-phenylethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-methoxy-2-phenyl-ethyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H35N4O3+ MolecularWeight: 451.5811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N4O3/c1-26(2,3)33-25(31)30(29-24-27-21-12-8-9-13-22(21)28-24)16-14-19(15-17-30)18-23(32-4)20-10-6-5-7-11-20/h5-13,19,23H,14-18H2,1-4H3,(H2,27,28,29)/q+1