2-methyl-4-[3-[2-(1-oxidanidylpyridin-1-ium-3-yl)oxyethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-methyl-4-[3-[2-(1-oxidanidylpyridin-1-ium-3-yl)oxyethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid Openeye Name: 2-methyl-4-[3-[2-(1-oxidopyridin-1-ium-3-yl)oxyethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid CAS Name: 2-methyl-4-[3-[2-[(1-oxido-3-pyridin-1-iumyl)oxy]ethoxy]-2-pyrazinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-methyl-4-[3-[2-(1-oxidopyridin-1-ium-3-yl)oxyethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid Traditional Name: 2-methyl-4-[3-[2-(1-oxidopyridin-1-ium-3-yl)oxyethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)O)C2=NC=CN=C2OCCOC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)O)C2=NC=CN=C2OCCOC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H21N5O5/c1-13-11-20(7-8-22(13)17(23)24)15-16(19-5-4-18-15)27-10-9-26-14-3-2-6-21(25)12-14/h2-6,12-13H,7-11H2,1H3,(H,23,24)