tert-butyl N-[11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecyl]carbamate

Systemtic Name: tert-butyl N-[11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecyl]carbamate Openeye Name: tert-butyl N-[11-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)undecyl]carbamate CAS Name: N-[11-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]undecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[11-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)undecyl]carbamate Traditional Name: N-[11-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)undecyl]carbamic acid tert-butyl ester Formula: C30H45N4O2+ MolecularWeight: 493.7039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

InChI

InChI=1S/C30H44N4O2/c1-30(2,3)36-29(35)32-22-16-9-7-5-4-6-8-10-17-23-33-26-20-14-15-21-27(26)34(28(33)31)24-25-18-12-11-13-19-25/h11-15,18-21,31H,4-10,16-17,22-24H2,1-3H3,(H,32,35)/p+1