[(2R)-2-(3-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(3-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-nitrophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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