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

Systemtic Name: methyl (1S)-8-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(2-fluoro-4-methoxyphenyl)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-fluoro-4-methoxyphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-(2-fluoro-4-methoxy-benzyl)-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H28FN2O4+ MolecularWeight: 391.456423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O4/c1-4-9-24-19(25)13-17(20(26)28-3)21(24)7-10-23(11-8-21)14-15-5-6-16(27-2)12-18(15)22/h4-6,12,17H,1,7-11,13-14H2,2-3H3/p+1/t17-/m1/s1