[(2R)-2-(4-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(4-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(4-nitrophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(4-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C17H23N5O2+2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(C[NH3+])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)[C@@H](C[NH3+])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c18-13-16(14-4-6-15(7-5-14)22(23)24)20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8,16H,9-13,18H2/p+2/t16-/m0/s1