[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C[NH+](CC4=CC=CO4)CC5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C[NH+](CC4=CC=CO4)CC5=CC=CS5

InChI

InChI=1S/C23H30N2O2S/c26-22(24-16-23-10-17-7-18(11-23)9-19(8-17)12-23)15-25(13-20-3-1-5-27-20)14-21-4-2-6-28-21/h1-6,17-19H,7-16H2,(H,24,26)/p+1