methyl (1S)-8-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-4-ethyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-4-ethyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-[(6-chloro-4-oxo-chromen-3-yl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(6-chloro-4-oxochromen-3-yl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-[(6-chloro-4-keto-chromen-3-yl)methyl]-4-ethyl-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H26ClN2O5+ MolecularWeight: 433.90524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C12CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H25ClN2O5/c1-3-25-19(26)11-17(21(28)29-2)22(25)6-8-24(9-7-22)12-14-13-30-18-5-4-15(23)10-16(18)20(14)27/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/p+1/t17-/m1/s1