N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: N-(2,6-dimethylphenyl)-3-morpholino-4-(4-nitrophenyl)thiazol-3-ium-2-amine CAS Name: N-(2,6-dimethylphenyl)-3-(4-morpholinyl)-4-(4-nitrophenyl)-2-thiazol-3-iumamine IUPAC Name: N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: (2,6-dimethylphenyl)-[3-morpholino-4-(4-nitrophenyl)thiazol-3-ium-2-yl]amine Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H22N4O3S/c1-15-4-3-5-16(2)20(15)22-21-24(23-10-12-28-13-11-23)19(14-29-21)17-6-8-18(9-7-17)25(26)27/h3-9,14H,10-13H2,1-2H3/p+1