ethyl 4-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-oxobenzo[f]chromen-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-oxobenzo[f]chromen-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-ketobenzo[f]chromen-1-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N2O4/c1-2-26-21(25)23-11-9-22(10-12-23)14-16-13-19(24)27-18-8-7-15-5-3-4-6-17(15)20(16)18/h3-8,13H,2,9-12,14H2,1H3/p+1