1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-(4-chloranylphenoxy)ethanone

Systemtic Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ium-1-yl)-1-piperidyl]-2-(4-chlorophenoxy)ethanone CAS Name: 1-[4-(1-azepan-1-iumyl)-1-piperidinyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ium-1-yl)piperidino]-2-(4-chlorophenoxy)ethanone Formula: C19H28ClN2O2+ MolecularWeight: 351.89082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H27ClN2O2/c20-16-5-7-18(8-6-16)24-15-19(23)22-13-9-17(10-14-22)21-11-3-1-2-4-12-21/h5-8,17H,1-4,9-15H2/p+1