N'-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide

Systemtic Name: N'-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: N'-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: N'-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: N'-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: N'-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-1-(4-nitrobenzyl)piperidin-1-ium-4-carbohydrazide Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])C1=O

Isomeric SMILES

COC1=CC=CC(=CNNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])C1=O

InChI

InChI=1S/C21H24N4O5/c1-30-19-4-2-3-17(20(19)26)13-22-23-21(27)16-9-11-24(12-10-16)14-15-5-7-18(8-6-15)25(28)29/h2-8,13,16,22H,9-12,14H2,1H3,(H,23,27)/p+1