3-[1-adamantylcarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1-adamantylcarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[adamantane-1-carbonyl-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-adamantyl(oxo)methyl]-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[adamantane-1-carbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium Traditional Name: 3-[adamantane-1-carbonyl-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]amino]propyl-dimethyl-ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(CCC[NH+](C)C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(CCC[NH+](C)C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

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