3-(4-methylpiperazin-1-yl)propyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: 3-(4-methylpiperazin-1-yl)propyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: 3-(4-methylpiperazin-1-yl)propyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid 3-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-methylpiperazin-1-yl)propyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid 3-(4-methylpiperazino)propyl ester Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CN1CCN(CC1)CCCOC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C14H21N3O3/c1-15-8-10-16(11-9-15)5-2-12-20-14(18)13-3-6-17(19)7-4-13/h3-4,6-7H,2,5,8-12H2,1H3