3-(2-morpholin-4-ylethyl)-4-(3-morpholin-4-ylsulfonylphenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-(2-morpholin-4-ylethyl)-4-(3-morpholin-4-ylsulfonylphenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-(2-morpholinoethyl)-4-(3-morpholinosulfonylphenyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 3-[2-(4-morpholinyl)ethyl]-4-[3-(4-morpholinylsulfonyl)phenyl]-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 3-(2-morpholin-4-ylethyl)-4-(3-morpholin-4-ylsulfonylphenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(2-morpholinoethyl)-4-(3-morpholinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C25H31N4O4S2+ MolecularWeight: 515.66804

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C(SC=C2C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)NC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CC[N+]2=C(SC=C2C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)NC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O4S2/c30-35(31,28-13-17-33-18-14-28)23-8-4-5-21(19-23)24-20-34-25(26-22-6-2-1-3-7-22)29(24)10-9-27-11-15-32-16-12-27/h1-8,19-20H,9-18H2/p+1