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

Systemtic Name: 3-(2-morpholin-4-ylethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-(2-morpholinoethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: 3-[2-(4-morpholinyl)ethyl]-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-(2-morpholin-4-ylethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(2-morpholinoethyl)-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C25H31N4O3S2+ MolecularWeight: 499.66864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCN4CCOCC4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCN4CCOCC4)NC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O3S2/c30-34(31,28-12-4-5-13-28)23-10-8-21(9-11-23)24-20-33-25(26-22-6-2-1-3-7-22)29(24)15-14-27-16-18-32-19-17-27/h1-3,6-11,20H,4-5,12-19H2/p+1