3-[[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethanoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethanoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-oxo-acetyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[2-[[4-(1-adamantyl)-2-thiazolyl]amino]-1,2-dioxoethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxoacetyl]amino]propyl-diethylazanium Traditional Name: 3-[[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-keto-acetyl]amino]propyl-diethyl-ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H34N4O2S/c1-3-26(4-2)7-5-6-23-19(27)20(28)25-21-24-18(14-29-21)22-11-15-8-16(12-22)10-17(9-15)13-22/h14-17H,3-13H2,1-2H3,(H,23,27)(H,24,25,28)/p+1