methyl (1S)-8-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-ethyl-3-keto-8-veratryl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-5-23-19(24)13-16(20(25)28-4)21(23)8-10-22(11-9-21)14-15-6-7-17(26-2)18(12-15)27-3/h6-7,12,16H,5,8-11,13-14H2,1-4H3/p+1/t16-/m1/s1