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

Systemtic Name: N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-3-propyl-1,3-thiazol-3-ium-2-amine Openeye Name: N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]-3-propyl-thiazol-3-ium-2-amine CAS Name: N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-3-propyl-2-thiazol-3-iumamine IUPAC Name: N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-3-propyl-1,3-thiazol-3-ium-2-amine Traditional Name: phenyl-[4-(4-piperidinosulfonylphenyl)-3-propyl-thiazol-3-ium-2-yl]amine Formula: C23H28N3O2S2+ MolecularWeight: 442.61732

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC4=CC=CC=C4

Isomeric SMILES

CCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S2/c1-2-15-26-22(18-29-23(26)24-20-9-5-3-6-10-20)19-11-13-21(14-12-19)30(27,28)25-16-7-4-8-17-25/h3,5-6,9-14,18H,2,4,7-8,15-17H2,1H3/p+1