2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one chloride

Systemtic Name: 2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one chloride Openeye Name: 2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one chloride CAS Name: 2-phenyl-3-(1-piperidin-1-iumyl)-1-(4-propoxyphenyl)-1-propanone chloride IUPAC Name: 2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one chloride Traditional Name: 2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one chloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO2.ClH/c1-2-17-26-21-13-11-20(12-14-21)23(25)22(19-9-5-3-6-10-19)18-24-15-7-4-8-16-24;/h3,5-6,9-14,22H,2,4,7-8,15-18H2,1H3;1H