methyl (1S)-8-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(3,5-dimethoxyphenyl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(3,5-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-[(3,5-dimethoxyphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-(3,5-dimethoxybenzyl)-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H31N2O5+ MolecularWeight: 403.49194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCC3(CC2)[C@H](CC(=O)N3CC=C)C(=O)OC)OC

InChI

InChI=1S/C22H30N2O5/c1-5-8-24-20(25)14-19(21(26)29-4)22(24)6-9-23(10-7-22)15-16-11-17(27-2)13-18(12-16)28-3/h5,11-13,19H,1,6-10,14-15H2,2-4H3/p+1/t19-/m1/s1