1-[4-[4-[[(3S)-piperidin-1-ium-3-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[[(3S)-piperidin-1-ium-3-yl]methoxy]phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[(3S)-piperidin-1-ium-3-yl]methoxy]phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[(3S)-3-piperidin-1-iumyl]methoxy]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[(3S)-piperidin-1-ium-3-yl]methoxy]phenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[(3S)-piperidin-1-ium-3-yl]methoxy]phenyl]piperazino]ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3CCC[NH2+]C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C18H27N3O2/c1-15(22)20-9-11-21(12-10-20)17-4-6-18(7-5-17)23-14-16-3-2-8-19-13-16/h4-7,16,19H,2-3,8-14H2,1H3/p+1/t16-/m0/s1