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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-ethyl-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-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)N3CCCCCC3)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S2/c1-2-26-22(18-29-23(26)24-20-10-6-5-7-11-20)19-12-14-21(15-13-19)30(27,28)25-16-8-3-4-9-17-25/h5-7,10-15,18H,2-4,8-9,16-17H2,1H3/p+1