methyl 2-[(2S)-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCNC(=O)C3CC(=O)OC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCNC(=O)[C@@H]3CC(=O)OC)C(C)C

InChI

InChI=1S/C21H26N2O5/c1-12(2)15-9-16-14(8-20(25)28-18(16)7-13(15)3)11-23-6-5-22-21(26)17(23)10-19(24)27-4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,22,26)/p+1/t17-/m0/s1