[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl]-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: [2-(4-tert-butylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: [2-(4-tert-butylanilino)-2-keto-ethyl]-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H29N3O2S/c1-5-24(14-19(25)22-13-18-7-6-12-27-18)15-20(26)23-17-10-8-16(9-11-17)21(2,3)4/h6-12H,5,13-15H2,1-4H3,(H,22,25)(H,23,26)/p+1