4-[(2Z)-2-[1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylidene]hydrazinyl]benzoate

Systemtic Name: 4-[(2Z)-2-[1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylidene]hydrazinyl]benzoate Openeye Name: 4-[(2Z)-2-[1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylidene]hydrazino]benzoate CAS Name: 4-[(2Z)-2-[1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylidene]hydrazinyl]benzoate IUPAC Name: 4-[(2Z)-2-[1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylidene]hydrazinyl]benzoate Traditional Name: 4-[(N'Z)-N'-[1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylidene]hydrazino]benzoate Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=C(C=C1)C(=O)[O-])C2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

C/C(=N/NC1=CC=C(C=C1)C(=O)[O-])/C2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

InChI=1S/C21H25N3O3/c1-15(22-23-19-8-5-16(6-9-19)21(25)26)17-7-10-20(27-2)18(13-17)14-24-11-3-4-12-24/h5-10,13,23H,3-4,11-12,14H2,1-2H3,(H,25,26)/b22-15-