ethyl 4-[(2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-isopropyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-isopropyl-2-keto-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)C(C)C

InChI

InChI=1S/C20H26N2O4/c1-4-25-20(24)22-9-7-21(8-10-22)13-16-12-19(23)26-18-6-5-15(14(2)3)11-17(16)18/h5-6,11-12,14H,4,7-10,13H2,1-3H3/p+1