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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-butyl-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-butyl-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-butyl-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-butyl-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-butyl-thiazol-3-ium-2-yl]-phenyl-amine Formula: C25H32N3O2S2+ MolecularWeight: 470.67048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S2/c1-2-3-19-28-24(20-31-25(28)26-22-11-7-6-8-12-22)21-13-15-23(16-14-21)32(29,30)27-17-9-4-5-10-18-27/h6-8,11-16,20H,2-5,9-10,17-19H2,1H3/p+1