1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: 1-(4-bromobenzyl)-N'-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Formula: C21H25BrN3O3+ MolecularWeight: 447.3455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)C=CC1=O

InChI

InChI=1S/C21H24BrN3O3/c1-28-20-12-16(4-7-19(20)26)13-23-24-21(27)17-8-10-25(11-9-17)14-15-2-5-18(22)6-3-15/h2-7,12-13,17,23H,8-11,14H2,1H3,(H,24,27)/p+1