N-(2,3-dimethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-N-[4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C23H29N5OS+2 MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C)C

InChI

InChI=1S/C23H27N5OS/c1-17-7-6-8-21(18(17)2)28(19(3)29)23-25-20(16-30-23)15-26-11-13-27(14-12-26)22-9-4-5-10-24-22/h4-10,16H,11-15H2,1-3H3/p+2