2-methoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-methoxy-ethanone CAS Name: 2-methoxy-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-methoxyethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-methoxy-ethanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

COCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-18-12-14(17)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1