3-ethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-ethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-ethyl-4-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-N-phenyl-thiazol-3-ium-2-amine CAS Name: 3-ethyl-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 3-ethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-ethyl-4-[4-(4-methylpiperidino)sulfonylphenyl]thiazol-3-ium-2-yl]-phenyl-amine Formula: C23H28N3O2S2+ MolecularWeight: 442.61732

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)NC4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S2/c1-3-26-22(17-29-23(26)24-20-7-5-4-6-8-20)19-9-11-21(12-10-19)30(27,28)25-15-13-18(2)14-16-25/h4-12,17-18H,3,13-16H2,1-2H3/p+1