cyclohexyl-methyl-[2-oxidanyl-3-[(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[2-oxidanyl-3-[(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propyl]azanium Openeye Name: cyclohexyl-[2-hydroxy-3-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[2-hydroxy-3-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[2-hydroxy-3-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propyl]-methylazanium Traditional Name: cyclohexyl-[2-hydroxy-3-[(4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propyl]-methyl-ammonium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)O)C4CCCCC4

Isomeric SMILES

C[NH+](CC(COC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)O)C4CCCCC4

InChI

InChI=1S/C22H29NO4/c1-23(15-6-3-2-4-7-15)13-16(24)14-26-17-10-11-19-18-8-5-9-20(18)22(25)27-21(19)12-17/h10-12,15-16,24H,2-9,13-14H2,1H3/p+1