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

Systemtic Name: N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[4-[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-13(23)19-16-5-3-15(4-6-16)18(24)22-9-7-21(8-10-22)11-17-12-25-14(2)20-17/h3-6,12H,7-11H2,1-2H3,(H,19,23)/p+1