1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-oxidanidyl-imidazolidin-1-ium-4-yl]piperidine

Systemtic Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-oxidanidyl-imidazolidin-1-ium-4-yl]piperidine Openeye Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-benzofuran-7-yl)-1-oxido-imidazolidin-1-ium-4-yl]piperidine CAS Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-benzofuran-7-yl)-1-oxido-4-imidazolidin-1-iumyl]piperidine IUPAC Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-oxidoimidazolidin-1-ium-4-yl]piperidine Traditional Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethylcoumaran-7-yl)-1-oxido-imidazolidin-1-ium-4-yl]piperidine Formula: C28H45N3O2 MolecularWeight: 455.6758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C[N+](CN1C2=CC=CC3=C2OC(C3)(C)C)(C4CCCCC4)[O-])N5CCCCC5

Isomeric SMILES

CCCCC1(C[N+](CN1C2=CC=CC3=C2OC(C3)(C)C)(C4CCCCC4)[O-])N5CCCCC5

InChI

InChI=1S/C28H45N3O2/c1-4-5-17-28(29-18-10-7-11-19-29)21-31(32,24-14-8-6-9-15-24)22-30(28)25-16-12-13-23-20-27(2,3)33-26(23)25/h12-13,16,24H,4-11,14-15,17-22H2,1-3H3