(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-indan-5-yloxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-indan-5-yloxy-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H27N3O2/c1-2-20(27-19-10-9-17-6-5-7-18(17)16-19)22(26)25-14-12-24(13-15-25)21-8-3-4-11-23-21/h3-4,8-11,16,20H,2,5-7,12-15H2,1H3/p+1/t20-/m0/s1