tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(quinolin-2-ylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(quinolin-2-ylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-quinolylmethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-quinolinylmethyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(quinolin-2-ylmethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-quinolylmethyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC2=NC3=CC=CC=C3C=C2)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC2=NC3=CC=CC=C3C=C2)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H32N5O2/c1-27(2,3)34-26(33)32(31-25-29-23-10-6-7-11-24(23)30-25)16-14-19(15-17-32)18-21-13-12-20-8-4-5-9-22(20)28-21/h4-13,19H,14-18H2,1-3H3,(H2,29,30,31)/q+1