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

Systemtic Name: 4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid Openeye Name: 4-[(3-allyl-4-methyl-thiazol-3-ium-2-yl)amino]benzoic acid CAS Name: 4-[(4-methyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]benzoic acid IUPAC Name: 4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzoic acid Traditional Name: 4-[(3-allyl-4-methyl-thiazol-3-ium-2-yl)amino]benzoic acid Formula: C14H15N2O2S+ MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1CC=C)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CSC(=[N+]1CC=C)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14N2O2S/c1-3-8-16-10(2)9-19-14(16)15-12-6-4-11(5-7-12)13(17)18/h3-7,9H,1,8H2,2H3,(H,17,18)/p+1