(4E)-4-[(2Z)-2-ethylideneheptylidene]-1-oxidanidyl-5-pyrrolidin-1-yl-pyrazolidin-1-ium-1,2-dicarboxylic acid

Systemtic Name: (4E)-4-[(2Z)-2-ethylideneheptylidene]-1-oxidanidyl-5-pyrrolidin-1-yl-pyrazolidin-1-ium-1,2-dicarboxylic acid Openeye Name: (4E)-4-[(2Z)-2-ethylideneheptylidene]-1-oxido-5-pyrrolidin-1-yl-pyrazolidin-1-ium-1,2-dicarboxylic acid CAS Name: (4E)-4-[(2Z)-2-ethylideneheptylidene]-1-oxido-5-(1-pyrrolidinyl)pyrazolidin-1-ium-1,2-dicarboxylic acid IUPAC Name: (4E)-4-[(2Z)-2-ethylideneheptylidene]-1-oxido-5-pyrrolidin-1-ylpyrazolidin-1-ium-1,2-dicarboxylic acid Traditional Name: (4E)-4-[(Z)-2-amylbut-2-enylidene]-1-oxido-5-pyrrolidino-pyrazolidin-1-ium-1,2-dicarboxylic acid Formula: C18H29N3O5 MolecularWeight: 367.43996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC)C=C1CN([N+](C1N2CCCC2)(C(=O)O)[O-])C(=O)O

Isomeric SMILES

CCCCC/C(=C/C)/C=C/1\CN([N+](C1N2CCCC2)(C(=O)O)[O-])C(=O)O

InChI

InChI=1S/C18H29N3O5/c1-3-5-6-9-14(4-2)12-15-13-20(17(22)23)21(26,18(24)25)16(15)19-10-7-8-11-19/h4,12,16H,3,5-11,13H2,1-2H3,(H,22,23)(H,24,25)/b14-4-,15-12+