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

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-(3-morpholinopropyl)-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine CAS Name: 3-[3-(4-morpholinyl)propyl]-N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-(3-morpholin-4-ylpropyl)-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(3-morpholinopropyl)-4-(4-piperidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C27H35N4O3S2+ MolecularWeight: 527.7218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCCN4CCOCC4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCCN4CCOCC4)NC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O3S2/c32-36(33,30-15-5-2-6-16-30)25-12-10-23(11-13-25)26-22-35-27(28-24-8-3-1-4-9-24)31(26)17-7-14-29-18-20-34-21-19-29/h1,3-4,8-13,22H,2,5-7,14-21H2/p+1