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

Systemtic Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-phenacyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-phenacyl-piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-phenacyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-phenacylpiperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-4-phenacyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N4O3/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/h4-12,18H,13-17H2,1-3H3,(H2,26,27,28)/q+1