[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O2S/c1-2-24(13-19(25)22-12-18-4-3-5-27-18)14-20(26)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,15-17H,2,6-14H2,1H3,(H,22,25)(H,23,26)/p+1