tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-chloranyl-5,6,7,8-tetrahydroquinoxalin-5-yl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-chloranyl-5,6,7,8-tetrahydroquinoxalin-5-yl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H32ClN6O2+ MolecularWeight: 484.01358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2CCCC3=NC(=CN=C23)Cl)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2CCCC3=NC(=CN=C23)Cl)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H32ClN6O2/c1-25(2,3)34-24(33)32(31-23-29-18-8-4-5-9-19(18)30-23)13-11-16(12-14-32)17-7-6-10-20-22(17)27-15-21(26)28-20/h4-5,8-9,15-17H,6-7,10-14H2,1-3H3,(H2,29,30,31)/q+1