methyl 3-methyl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=NC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=NC=CS3)C(=O)OC

InChI

InChI=1S/C15H19N3O3S/c1-11-9-12(21-13(11)14(19)20-2)10-17-4-6-18(7-5-17)15-16-3-8-22-15/h3,8-9H,4-7,10H2,1-2H3/p+1