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

Systemtic Name: methyl (1S)-8-cycloheptyl-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-cycloheptyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-cycloheptyl-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-cycloheptyl-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-cycloheptyl-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)C3CCCCCC3)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)C3CCCCCC3)CC=C

InChI

InChI=1S/C20H32N2O3/c1-3-12-22-18(23)15-17(19(24)25-2)20(22)10-13-21(14-11-20)16-8-6-4-5-7-9-16/h3,16-17H,1,4-15H2,2H3/p+1/t17-/m1/s1