1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone Openeye Name: 1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone CAS Name: 1-(4-cycloheptyl-1-piperazin-4-iumyl)-2-(3-methylphenoxy)ethanone IUPAC Name: 1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone Traditional Name: 1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)C3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)C3CCCCCC3

InChI

InChI=1S/C20H30N2O2/c1-17-7-6-10-19(15-17)24-16-20(23)22-13-11-21(12-14-22)18-8-4-2-3-5-9-18/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3/p+1