1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ium-1-yl)-1-piperidyl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-(1-azepan-1-iumyl)-1-piperidinyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ium-1-yl)piperidino]-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)N2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+]3CCCCCC3

InChI

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