N-[(Z)-(4-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(Z)-(4-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-[(Z)-p-tolylmethyleneamino]piperidin-1-ium-4-carboxamide CAS Name: N-[(Z)-(4-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(Z)-(4-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(Z)-(4-methylbenzylidene)amino]-1-(4-nitrobenzyl)piperidin-1-ium-4-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=N\NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3/c1-16-2-4-17(5-3-16)14-22-23-21(26)19-10-12-24(13-11-19)15-18-6-8-20(9-7-18)25(27)28/h2-9,14,19H,10-13,15H2,1H3,(H,23,26)/p+1/b22-14-