6-butyl-1-[3-cyclohexyl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-oxidanidyl-imidazolidine-1,3-diium-1-yl]-3,4-dihydro-2H-pyridine

Systemtic Name: 6-butyl-1-[3-cyclohexyl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-oxidanidyl-imidazolidine-1,3-diium-1-yl]-3,4-dihydro-2H-pyridine Openeye Name: 6-butyl-1-[3-cyclohexyl-1-(2,2-dimethyl-3H-benzofuran-7-yl)-3-oxido-imidazolidine-1,3-diium-1-yl]-3,4-dihydro-2H-pyridine CAS Name: 6-butyl-1-[3-cyclohexyl-1-(2,2-dimethyl-3H-benzofuran-7-yl)-3-oxido-1-imidazolidine-1,3-diiumyl]-3,4-dihydro-2H-pyridine IUPAC Name: 6-butyl-1-[3-cyclohexyl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-oxidoimidazolidine-1,3-diium-1-yl]-3,4-dihydro-2H-pyridine Traditional Name: 6-butyl-1-[3-cyclohexyl-1-(2,2-dimethylcoumaran-7-yl)-3-oxido-imidazolidine-1,3-diium-1-yl]-3,4-dihydro-2H-pyridine Formula: C28H44N3O2+ MolecularWeight: 454.66786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CCCCN1[N+]2(CC[N+](C2)(C3CCCCC3)[O-])C4=CC=CC5=C4OC(C5)(C)C

Isomeric SMILES

CCCCC1=CCCCN1[N+]2(CC[N+](C2)(C3CCCCC3)[O-])C4=CC=CC5=C4OC(C5)(C)C

InChI

InChI=1S/C28H44N3O2/c1-4-5-13-24-14-9-10-18-29(24)30(19-20-31(32,22-30)25-15-7-6-8-16-25)26-17-11-12-23-21-28(2,3)33-27(23)26/h11-12,14,17,25H,4-10,13,15-16,18-22H2,1-3H3/q+1