N-[4-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]ethanamide bromide

Systemtic Name: N-[4-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]ethanamide bromide Openeye Name: N-[4-[(3-allyl-5-methyl-4-phenyl-thiazol-3-ium-2-yl)amino]phenyl]acetamide bromide CAS Name: N-[4-[(5-methyl-4-phenyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]phenyl]acetamide bromide IUPAC Name: N-[4-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]acetamide bromide Traditional Name: N-[4-[(3-allyl-5-methyl-4-phenyl-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=C([N+](=C(S1)NC2=CC=C(C=C2)NC(=O)C)CC=C)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=C([N+](=C(S1)NC2=CC=C(C=C2)NC(=O)C)CC=C)C3=CC=CC=C3.[Br-]

InChI

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