ethyl 4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoate

Systemtic Name: ethyl 4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoate Openeye Name: ethyl 4-[(3-allyl-4-methyl-thiazol-3-ium-2-yl)amino]benzoate CAS Name: 4-[(4-methyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoate Traditional Name: 4-[(3-allyl-4-methyl-thiazol-3-ium-2-yl)amino]benzoic acid ethyl ester Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C)CC=C

InChI

InChI=1S/C16H18N2O2S/c1-4-10-18-12(3)11-21-16(18)17-14-8-6-13(7-9-14)15(19)20-5-2/h4,6-9,11H,1,5,10H2,2-3H3/p+1