1-[4-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]piperidino]ethanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2/c1-17(24)22-14-11-20(12-15-22)23-13-3-4-19(16-23)6-5-18-7-9-21(25-2)10-8-18/h7-10,19-20H,3-6,11-16H2,1-2H3/p+1/t19-/m1/s1