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

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

Systemtic Name:2-[2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]ethoxy]ethanol
Openeye Name:2-[2-[4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium-1-yl]ethoxy]ethanol
CAS Name:2-[2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1-piperazin-4-iumyl]ethoxy]ethanol
IUPAC Name:2-[2-[4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]ethoxy]ethanol
Traditional Name:2-[2-[4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium-1-yl]ethoxy]ethanol
Formula: C17H26N3O4+
MolecularWeight: 336.40604
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2[N+](=O)[O-])CCOCCO


Isomeric SMILES

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


InChI

InChI=1S/C17H25N3O4/c21-13-15-24-14-12-19-10-8-18(9-11-19)7-3-5-16-4-1-2-6-17(16)20(22)23/h1-6,21H,7-15H2/p+1/b5-3+


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