[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-oxidanylidenechromen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-oxidanylidenechromen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-oxochromen-3-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(4-oxo-1-benzopyran-3-yl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-oxochromen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-ketochromen-3-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C28H37N3O2+2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CN=CC=C3)CC4=COC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CN=CC=C3)CC4=COC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H35N3O2/c32-28-24(21-33-27-13-5-4-12-26(27)28)20-30(17-22-8-6-14-29-16-22)18-23-9-7-15-31(19-23)25-10-2-1-3-11-25/h4-6,8,12-14,16,21,23,25H,1-3,7,9-11,15,17-20H2/p+2/t23-/m1/s1