1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3R)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3R)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@H](C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H34N4O/c1-19(27)23-12-9-21(10-13-23)26-11-5-8-22(18-26)25-16-14-24(15-17-25)20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-18H2,1H3/p+1/t22-/m1/s1