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1-[4-[(3S)-3-phenethylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

1-[4-[(3S)-3-phenethylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name:1-[4-[(3S)-3-phenethylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone
Openeye Name:1-[4-[(3S)-3-phenethylpiperidin-1-ium-1-yl]-1-piperidyl]ethanone
CAS Name:1-[4-[(3S)-3-phenethyl-1-piperidin-1-iumyl]-1-piperidinyl]ethanone
IUPAC Name:1-[4-[(3S)-3-phenethylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone
Traditional Name:1-[4-[(3S)-3-phenethylpiperidin-1-ium-1-yl]piperidino]ethanone
Formula: C20H31N2O+
MolecularWeight: 315.47294
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)CCC3=CC=CC=C3


Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)CCC3=CC=CC=C3


InChI

InChI=1S/C20H30N2O/c1-17(23)21-14-11-20(12-15-21)22-13-5-8-19(16-22)10-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3/p+1/t19-/m1/s1


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