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

Systemtic Name: methyl (1S)-3-oxidanylidene-8-[(E)-3-phenylprop-2-enyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(E)-cinnamyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-8-[(E)-3-phenylprop-2-enyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-8-[(E)-3-phenylprop-2-enyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-[(E)-cinnamyl]-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CC=C

InChI

InChI=1S/C22H28N2O3/c1-3-13-24-20(25)17-19(21(26)27-2)22(24)11-15-23(16-12-22)14-7-10-18-8-5-4-6-9-18/h3-10,19H,1,11-17H2,2H3/p+1/b10-7+/t19-/m1/s1