1-[(1S)-1-(3-nitrophenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(1S)-1-(3-nitrophenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(1S)-1-(3-nitrophenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(1S)-1-(3-nitrophenyl)ethyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(1S)-1-(3-nitrophenyl)ethyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(1S)-1-(3-nitrophenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C17H22N4O2+2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20N4O2/c1-14(15-5-4-6-16(13-15)21(22)23)19-9-11-20(12-10-19)17-7-2-3-8-18-17/h2-8,13-14H,9-12H2,1H3/p+2/t14-/m0/s1