N-[4-[[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]phenyl]ethanamide bromide

Systemtic Name: N-[4-[[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]phenyl]ethanamide bromide Openeye Name: N-[4-[[3-allyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]phenyl]acetamide bromide CAS Name: N-[4-[[4-(4-methylphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]phenyl]acetamide bromide IUPAC Name: N-[4-[[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]phenyl]acetamide bromide Traditional Name: N-[4-[[3-allyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]phenyl]acetamide bromide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=C(C=C3)NC(=O)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=C(C=C3)NC(=O)C.[Br-]

InChI

InChI=1S/C21H21N3OS.BrH/c1-4-13-24-20(17-7-5-15(2)6-8-17)14-26-21(24)23-19-11-9-18(10-12-19)22-16(3)25;/h4-12,14H,1,13H2,2-3H3,(H,22,25);1H