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

Systemtic Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[(4-nitrophenyl)thio]-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-14(26-17-4-2-16(3-5-17)22(24)25)18(23)21-12-10-20(11-13-21)15-6-8-19-9-7-15/h2-9,14H,10-13H2,1H3/p+1/t14-/m1/s1