N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(Z)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-piperonylamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=C(C=C3)OC)C[NH+]4CCCC4

Isomeric SMILES

C/C(=N/NC(=O)C1=CC2=C(C=C1)OCO2)/C3=CC(=C(C=C3)OC)C[NH+]4CCCC4

InChI

InChI=1S/C22H25N3O4/c1-15(23-24-22(26)17-6-8-20-21(12-17)29-14-28-20)16-5-7-19(27-2)18(11-16)13-25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,24,26)/p+1/b23-15-