2-[3-[(4-benzamido-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride

Systemtic Name: 2-[3-[(4-benzamido-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride Openeye Name: 2-[3-[(4-benzamido-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl benzoate chloride CAS Name: benzoic acid 2-[3-[(4-benzamido-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester chloride IUPAC Name: 2-[3-[(4-benzamido-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride Traditional Name: benzoic acid 2-[3-[(4-benzamido-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester chloride Formula: C26H25ClN4O3S MolecularWeight: 509.0197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2NC(=O)C3=CC=CC=C3)C)CCOC(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2NC(=O)C3=CC=CC=C3)C)CCOC(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H24N4O3S.ClH/c1-18-23(13-14-33-26(32)21-11-7-4-8-12-21)34-17-30(18)16-22-15-27-19(2)28-24(22)29-25(31)20-9-5-3-6-10-20;/h3-12,15,17H,13-14,16H2,1-2H3;1H