ethyl 4-[(2-oxidanylidene-6,7,8,9-tetrahydrobenzo[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-oxidanylidene-6,7,8,9-tetrahydrobenzo[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-oxo-6,7,8,9-tetrahydrobenzo[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-oxo-6,7,8,9-tetrahydrobenzo[g][1]benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxo-6,7,8,9-tetrahydrobenzo[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-keto-6,7,8,9-tetrahydrobenzo[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCCC4)C=C23

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCCC4)C=C23

InChI

InChI=1S/C21H26N2O4/c1-2-26-21(25)23-9-7-22(8-10-23)14-17-13-20(24)27-19-12-16-6-4-3-5-15(16)11-18(17)19/h11-13H,2-10,14H2,1H3/p+1