4-methyl-2-(4-phenylphenyl)-2-propoxy-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ium chloride

Systemtic Name: 4-methyl-2-(4-phenylphenyl)-2-propoxy-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ium chloride Openeye Name: 4-methyl-2-(4-phenylphenyl)-2-propoxy-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ium chloride CAS Name: 4-methyl-2-(4-phenylphenyl)-2-propoxy-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ium chloride IUPAC Name: 4-methyl-2-(4-phenylphenyl)-2-propoxy-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ium chloride Traditional Name: 4-methyl-2-(4-phenylphenyl)-2-propoxy-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ium chloride Formula: C24H32ClNO2 MolecularWeight: 401.96938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C[NH+](C2CCCCC2O1)C)C3=CC=C(C=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCOC1(C[NH+](C2CCCCC2O1)C)C3=CC=C(C=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H31NO2.ClH/c1-3-17-26-24(18-25(2)22-11-7-8-12-23(22)27-24)21-15-13-20(14-16-21)19-9-5-4-6-10-19;/h4-6,9-10,13-16,22-23H,3,7-8,11-12,17-18H2,1-2H3;1H