ethyl 4-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-5-26-21(25)23-8-6-22(7-9-23)13-16-11-20(24)27-19-10-15(4)17(14(2)3)12-18(16)19/h10-12,14H,5-9,13H2,1-4H3/p+1