methyl (1S)-8-(furan-3-ylmethyl)-4-methyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-(furan-3-ylmethyl)-4-methyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(3-furylmethyl)-4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(3-furanylmethyl)-4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(furan-3-ylmethyl)-4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(3-furfuryl)-3-keto-4-methyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CC[NH+](CC2)CC3=COC=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=COC=C3)C(=O)OC

InChI

InChI=1S/C16H22N2O4/c1-17-14(19)9-13(15(20)21-2)16(17)4-6-18(7-5-16)10-12-3-8-22-11-12/h3,8,11,13H,4-7,9-10H2,1-2H3/p+1/t13-/m1/s1