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

Systemtic Name: methyl (1S)-8-(furan-3-ylmethyl)-4-(3-methylbutyl)-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(3-furylmethyl)-4-isopentyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(3-furanylmethyl)-4-(3-methylbutyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(furan-3-ylmethyl)-4-(3-methylbutyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(3-furfuryl)-4-isoamyl-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CC(C12CC[NH+](CC2)CC3=COC=C3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=COC=C3)C(=O)OC

InChI

InChI=1S/C20H30N2O4/c1-15(2)4-8-22-18(23)12-17(19(24)25-3)20(22)6-9-21(10-7-20)13-16-5-11-26-14-16/h5,11,14-15,17H,4,6-10,12-13H2,1-3H3/p+1/t17-/m1/s1