phenyl-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methanone

Systemtic Name: phenyl-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methanone Openeye Name: phenyl-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methanone CAS Name: phenyl-[4-[3-(1-piperidin-1-iumyl)propoxy]phenyl]methanone IUPAC Name: phenyl-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methanone Traditional Name: phenyl-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]methanone Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c23-21(18-8-3-1-4-9-18)19-10-12-20(13-11-19)24-17-7-16-22-14-5-2-6-15-22/h1,3-4,8-13H,2,5-7,14-17H2/p+1