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2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]pyrimidine

2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name:2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]pyrimidine
Openeye Name:2-[4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium-1-yl]pyrimidine
CAS Name:2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1-piperazin-4-iumyl]pyrimidine
IUPAC Name:2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]pyrimidine
Traditional Name:2-[4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium-1-yl]pyrimidine
Formula: C17H20N5O2+
MolecularWeight: 326.373
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3


Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3


InChI

InChI=1S/C17H19N5O2/c23-22(24)16-7-2-1-5-15(16)6-3-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-9H,10-14H2/p+1/b6-3+


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