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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-allyl-4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-N-phenyl-3-prop-2-enyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-allyl-4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-3-ium-2-yl]-phenyl-amine Formula: C24H28N3O2S2+ MolecularWeight: 454.62802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S2/c1-2-16-27-23(19-30-24(27)25-21-10-6-5-7-11-21)20-12-14-22(15-13-20)31(28,29)26-17-8-3-4-9-18-26/h2,5-7,10-15,19H,1,3-4,8-9,16-18H2/p+1