N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]furan-2-carboxamide

Systemtic Name: N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]furan-2-carboxamide Openeye Name: N-[4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-furamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N4O3S/c1-15-22-18(14-29-15)13-24-8-10-25(11-9-24)21(27)16-4-6-17(7-5-16)23-20(26)19-3-2-12-28-19/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)/p+1