methyl (1S)-8-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(2,3-dimethoxyphenyl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(2,3-dimethoxyphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(2,3-dimethoxyphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-o-veratryl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H31N2O5+ MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC3(CC2)[C@H](CC(=O)N3CC=C)C(=O)OC

InChI

InChI=1S/C22H30N2O5/c1-5-11-24-19(25)14-17(21(26)29-4)22(24)9-12-23(13-10-22)15-16-7-6-8-18(27-2)20(16)28-3/h5-8,17H,1,9-15H2,2-4H3/p+1/t17-/m1/s1