(2R)-2-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (2R)-2-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2R)-2-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: (2R)-2-phenoxy-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: (2R)-2-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2R)-2-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-2-17(24-16-8-4-3-5-9-16)19(23)22-14-12-21(13-15-22)18-10-6-7-11-20-18/h3-11,17H,2,12-15H2,1H3/p+1/t17-/m1/s1