4-(4-methylphenyl)-3-phenethyl-N-phenyl-1,3-thiazol-3-ium-2-amine; propan-2-ol; bromide

Systemtic Name: 4-(4-methylphenyl)-3-phenethyl-N-phenyl-1,3-thiazol-3-ium-2-amine; propan-2-ol; bromide Openeye Name: 3-phenethyl-N-phenyl-4-(p-tolyl)thiazol-3-ium-2-amine; propan-2-ol; bromide CAS Name: 4-(4-methylphenyl)-3-phenethyl-N-phenyl-2-thiazol-3-iumamine; 2-propanol; bromide IUPAC Name: 4-(4-methylphenyl)-3-phenethyl-N-phenyl-1,3-thiazol-3-ium-2-amine; propan-2-ol; bromide Traditional Name: [3-phenethyl-4-(p-tolyl)thiazol-3-ium-2-yl]-phenyl-amine; propan-2-ol; bromide Formula: C27H31BrN2OS MolecularWeight: 511.51684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2CCC3=CC=CC=C3)NC4=CC=CC=C4.CC(C)O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2CCC3=CC=CC=C3)NC4=CC=CC=C4.CC(C)O.[Br-]

InChI

InChI=1S/C24H22N2S.C3H8O.BrH/c1-19-12-14-21(15-13-19)23-18-27-24(25-22-10-6-3-7-11-22)26(23)17-16-20-8-4-2-5-9-20;1-3(2)4;/h2-15,18H,16-17H2,1H3;3-4H,1-2H3;1H