4-(3-chloranyl-4-methoxy-phenyl)-N-phenyl-3-(3-propan-2-yloxypropyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-N-phenyl-3-(3-propan-2-yloxypropyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-3-(3-isopropoxypropyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-(3-chloro-4-methoxyphenyl)-N-phenyl-3-(3-propan-2-yloxypropyl)-2-thiazol-3-iumamine IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-N-phenyl-3-(3-propan-2-yloxypropyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [4-(3-chloro-4-methoxy-phenyl)-3-(3-isopropoxypropyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C22H26ClN2O2S+ MolecularWeight: 417.97204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[N+]1=C(SC=C1C2=CC(=C(C=C2)OC)Cl)NC3=CC=CC=C3

Isomeric SMILES

CC(C)OCCC[N+]1=C(SC=C1C2=CC(=C(C=C2)OC)Cl)NC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O2S/c1-16(2)27-13-7-12-25-20(17-10-11-21(26-3)19(23)14-17)15-28-22(25)24-18-8-5-4-6-9-18/h4-6,8-11,14-16H,7,12-13H2,1-3H3/p+1