methyl (1S)-8-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(6-chloro-4-oxo-chromen-3-yl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(6-chloro-4-oxochromen-3-yl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-[(6-chloro-4-keto-chromen-3-yl)methyl]-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C23H26ClN2O5+ MolecularWeight: 445.91594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)CC=C

InChI

InChI=1S/C23H25ClN2O5/c1-3-8-26-20(27)12-18(22(29)30-2)23(26)6-9-25(10-7-23)13-15-14-31-19-5-4-16(24)11-17(19)21(15)28/h3-5,11,14,18H,1,6-10,12-13H2,2H3/p+1/t18-/m1/s1