4-[4-(azepan-1-ylsulfonyl)phenyl]-3-pentyl-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-pentyl-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-pentyl-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-pentyl-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-pentyl-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-amyl-4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-3-ium-2-yl]-phenyl-amine Formula: C26H34N3O2S2+ MolecularWeight: 484.69706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC4=CC=CC=C4

Isomeric SMILES

CCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2S2/c1-2-3-9-20-29-25(21-32-26(29)27-23-12-7-6-8-13-23)22-14-16-24(17-15-22)33(30,31)28-18-10-4-5-11-19-28/h6-8,12-17,21H,2-5,9-11,18-20H2,1H3/p+1