N-phenyl-3-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-phenyl-3-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-allyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: N-phenyl-3-prop-2-enyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: N-phenyl-3-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-allyl-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C22H24N3O2S2+ MolecularWeight: 426.57486

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=CC=C4

Isomeric SMILES

C=CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S2/c1-2-14-25-21(17-28-22(25)23-19-8-4-3-5-9-19)18-10-12-20(13-11-18)29(26,27)24-15-6-7-16-24/h2-5,8-13,17H,1,6-7,14-16H2/p+1