N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methyleneamino]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(Z)-[4-(4-nitrobenzyl)oxybenzylidene]amino]-2-piperidin-1-ium-1-yl-acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NN=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N/N=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c26-21(15-24-12-2-1-3-13-24)23-22-14-17-6-10-20(11-7-17)29-16-18-4-8-19(9-5-18)25(27)28/h4-11,14H,1-3,12-13,15-16H2,(H,23,26)/p+1/b22-14-