N-[2-[(3-chlorophenyl)amino]-4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]propanamide

Systemtic Name: N-[2-[(3-chlorophenyl)amino]-4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]propanamide Openeye Name: N-[3-allyl-2-(3-chloroanilino)-4-(p-tolyl)thiazol-3-ium-5-yl]propanamide CAS Name: N-[2-(3-chloroanilino)-4-(4-methylphenyl)-3-prop-2-enyl-5-thiazol-3-iumyl]propanamide IUPAC Name: N-[2-(3-chloroanilino)-4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]propanamide Traditional Name: N-[3-allyl-2-(3-chloroanilino)-4-(p-tolyl)thiazol-3-ium-5-yl]propionamide Formula: C22H23ClN3OS+ MolecularWeight: 412.95552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C([N+](=C(S1)NC2=CC(=CC=C2)Cl)CC=C)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)NC1=C([N+](=C(S1)NC2=CC(=CC=C2)Cl)CC=C)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22ClN3OS/c1-4-13-26-20(16-11-9-15(3)10-12-16)21(25-19(27)5-2)28-22(26)24-18-8-6-7-17(23)14-18/h4,6-12,14H,1,5,13H2,2-3H3,(H,25,27)/p+1