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

Systemtic Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-oxidanidyl-imidazolidin-1-ium-4-yl]piperazine Openeye Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-benzofuran-7-yl)-1-oxido-imidazolidin-1-ium-4-yl]piperazine CAS Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-benzofuran-7-yl)-1-oxido-4-imidazolidin-1-iumyl]piperazine IUPAC Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-oxidoimidazolidin-1-ium-4-yl]piperazine Traditional Name: 1-[4-butyl-1-cyclohexyl-3-(2,2-dimethylcoumaran-7-yl)-1-oxido-imidazolidin-1-ium-4-yl]piperazine Formula: C27H44N4O2 MolecularWeight: 456.66386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C[N+](CN1C2=CC=CC3=C2OC(C3)(C)C)(C4CCCCC4)[O-])N5CCNCC5

Isomeric SMILES

CCCCC1(C[N+](CN1C2=CC=CC3=C2OC(C3)(C)C)(C4CCCCC4)[O-])N5CCNCC5

InChI

InChI=1S/C27H44N4O2/c1-4-5-14-27(29-17-15-28-16-18-29)20-31(32,23-11-7-6-8-12-23)21-30(27)24-13-9-10-22-19-26(2,3)33-25(22)24/h9-10,13,23,28H,4-8,11-12,14-21H2,1-3H3