tert-butyl N-[6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexyl]carbamate Openeye Name: tert-butyl N-[6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexyl]carbamate CAS Name: N-[6-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)hexyl]carbamate Traditional Name: N-[6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexyl]carbamic acid tert-butyl ester Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-25(2,3)31-24(30)27-17-11-4-5-12-18-28-21-15-9-10-16-22(21)29(23(28)26)19-20-13-7-6-8-14-20/h6-10,13-16,26H,4-5,11-12,17-19H2,1-3H3,(H,27,30)/p+1