methyl (1S)-4-methyl-3-oxidanylidene-8-[(4-oxidanylidenechromen-3-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-methyl-3-oxidanylidene-8-[(4-oxidanylidenechromen-3-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-methyl-3-oxo-8-[(4-oxochromen-3-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-methyl-3-oxo-8-[(4-oxo-1-benzopyran-3-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-methyl-3-oxo-8-[(4-oxochromen-3-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-8-[(4-ketochromen-3-yl)methyl]-4-methyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-22-18(24)11-16(20(26)27-2)21(22)7-9-23(10-8-21)12-14-13-28-17-6-4-3-5-15(17)19(14)25/h3-6,13,16H,7-12H2,1-2H3/p+1/t16-/m1/s1