1-phenanthren-2-yl-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-phenanthren-2-yl-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-(2-phenanthryl)-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(2-phenanthrenyl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-phenanthren-2-yl-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(2-phenanthryl)-2-piperidin-1-ium-1-yl-ethanone Formula: C21H22NO+ MolecularWeight: 304.40548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21NO/c23-21(15-22-12-4-1-5-13-22)18-10-11-20-17(14-18)9-8-16-6-2-3-7-19(16)20/h2-3,6-11,14H,1,4-5,12-13,15H2/p+1