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

Systemtic Name: methyl (1S)-3-oxidanylidene-4-prop-2-enyl-8-(pyridin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-3-oxo-8-(4-pyridylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-4-prop-2-enyl-8-(pyridin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-4-prop-2-enyl-8-(pyridin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-(4-pyridylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC=NC=C3)CC=C

InChI

InChI=1S/C19H25N3O3/c1-3-10-22-17(23)13-16(18(24)25-2)19(22)6-11-21(12-7-19)14-15-4-8-20-9-5-15/h3-5,8-9,16H,1,6-7,10-14H2,2H3/p+1/t16-/m1/s1