(2R)-2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(4-nitrophenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20N4O3/c1-14(15-5-7-16(8-6-15)22(24)25)18(23)21-12-10-20(11-13-21)17-4-2-3-9-19-17/h2-9,14H,10-13H2,1H3/p+1/t14-/m1/s1