dimethyl-[3-[naphthalen-2-ylcarbonyl-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[naphthalen-2-ylcarbonyl-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[naphthalene-2-carbonyl-[2-oxo-2-(thiazol-2-ylamino)ethyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[2-naphthalenyl(oxo)methyl]-[2-oxo-2-(2-thiazolylamino)ethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[naphthalene-2-carbonyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl]azanium Traditional Name: 3-[[2-keto-2-(thiazol-2-ylamino)ethyl]-(2-naphthoyl)amino]propyl-dimethyl-ammonium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[NH+](C)CCCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H24N4O2S/c1-24(2)11-5-12-25(15-19(26)23-21-22-10-13-28-21)20(27)18-9-8-16-6-3-4-7-17(16)14-18/h3-4,6-10,13-14H,5,11-12,15H2,1-2H3,(H,22,23,26)/p+1