N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-nitrobenzyl)-N-[(Z)-piperonylideneamino]piperidin-1-ium-4-carboxamide Formula: C21H23N4O5+ MolecularWeight: 411.43112

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c26-21(23-22-12-16-3-6-19-20(11-16)30-14-29-19)17-7-9-24(10-8-17)13-15-1-4-18(5-2-15)25(27)28/h1-6,11-12,17H,7-10,13-14H2,(H,23,26)/p+1/b22-12-